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BML 286

CAT: 0926-FB18841-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FB18841-02Size:10 mg
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CAS Number
294891-81-9
Synonyms
2-[[3-[ (2-phenylacetyl) amino]benzoyl]amino]benzoic acid;2-[[3-[ (phenylacetyl) amino]benzoyl]amino]benzoic acid
MDL Number
MFCD01186172
Smiles
C1=CC=C (C=C1) CC (=O) NC2=CC=CC (=C2) C (=O) NC3=CC=CC=C3C (=O) O
Molecular Formula
C22H18N2O4
Molecular Weight
374.39 g/mol
Controlled
No

Chemical Information

2-[[3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic Acid

2-[[oxo-[3-[(1-oxo-2-phenylethyl)amino]phenyl]methyl]amino]benzoic acid is a member of benzamides.

CAS Number294891-81-9
PubChem CID5221450
IUPAC Name2-[[3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
Molecular FormulaC22H18N2O4
Molecular Weight374.4
XLogP3.6
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity559
SMILES
C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C22H18N2O4/c25-20(13-15-7-2-1-3-8-15)23-17-10-6-9-16(14-17)21(26)24-19-12-5-4-11-18(19)22(27)28/h1-12,14H,13H2,(H,23,25)(H,24,26)(H,27,28)
InChIKey
OBGIRQUECFHUEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[[3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic Acid
CAS: 294891-81-9
CID: 5221450
Formula: C22H18N2O4
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass374.12665706
Monoisotopic Mass374.12665706
Topological Polar Surface Area95.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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