PD 184,352

CAT: 0024-sc-202759ASize: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-202759ASize:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

212631-79-3

Chemical Information

Ci-1040

2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide is an aminobenzoic acid.

CAS Number	212631-79-3
PubChem CID	6918454
IUPAC Name	2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
Molecular Formula	C17H14ClF2IN2O2
Molecular Weight	478.7
XLogP	5.6
Topological Polar Surface Area	50.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	472

SMILES

C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl

InChI

InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)

InChIKey

GFMMXOIFOQCCGU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 212631-79-3

CID: 6918454

Formula: C17H14ClF2IN2O2

MW: 478.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	478.7
XLogP3	5.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	477.97566
Monoisotopic Mass	477.97566
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	472
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes