2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid

C15H11ClFNO3 — CID 81454401

IUPAC2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid
SMILESCN(C(=O)c1cccc(F)c1Cl)c1ccccc1C(=O)O
InChIInChI=1S/C15H11ClFNO3/c1-18(12-8-3-2-5-9(12)15(20)21)14(19)10-6-4-7-11(17)13(10)16/h2-8H,1H3,(H,20,21)
InChIKeyLVAVTRVGHDHQDU-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.45
Rot. Bonds3

About 2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid

2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid (PubChem CID 81454401) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is 2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid
PubChem CID81454401
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Name2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid
SMILESCN(C(=O)c1cccc(F)c1Cl)c1ccccc1C(=O)O
InChIInChI=1S/C15H11ClFNO3/c1-18(12-8-3-2-5-9(12)15(20)21)14(19)10-6-4-7-11(17)13(10)16/h2-8H,1H3,(H,20,21)
InChIKeyLVAVTRVGHDHQDU-UHFFFAOYSA-N
XLogP3.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-fluoro-N,N-dimethylbenzamide
CID 57234037
2-[(5-chloro-2-methylbenzoyl)-methylamino]benzoic acid
CID 82877765
2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid
CID 62514246
2-[(3-chlorobenzoyl)-methylamino]benzoic acid
CID 16771040
2-[(2-aminobenzoyl)-methylamino]benzoic acid
CID 12819851
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide
CID 107027760
2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid
CID 16773334
2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide
CID 79035918
2-[(2,2-difluoroacetyl)-methylamino]benzoic acid
CID 103513102
2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid
CID 43823080

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid?
The IUPAC name of 2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid (CID 81454401) is 2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid.
What is the SMILES notation for 2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid?
The canonical SMILES for 2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid is CN(C(=O)c1cccc(F)c1Cl)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid?
The InChIKey is LVAVTRVGHDHQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c1-18(12-8-3-2-5-9(12)15(20)21)14(19)10-6-4-7-11(17)13(10)16/h2-8H,1H3,(H,20,21).
What are the key properties of 2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid?
2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid has a molecular weight of 307.71 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid is sourced from PubChem (CID 81454401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).