2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid

C15H11ClFNO3 — CID 107095848

IUPAC2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid
SMILESCc1c(Cl)cccc1C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C15H11ClFNO3/c1-8-9(4-2-5-10(8)16)14(19)18-12-7-3-6-11(17)13(12)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyYSVDUPAYXGZYKM-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.74
Rot. Bonds3

About 2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid

2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid (PubChem CID 107095848) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid
PubChem CID107095848
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Name2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid
SMILESCc1c(Cl)cccc1C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C15H11ClFNO3/c1-8-9(4-2-5-10(8)16)14(19)18-12-7-3-6-11(17)13(12)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyYSVDUPAYXGZYKM-UHFFFAOYSA-N
XLogP3.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-carbamothioyl-3-fluorophenyl)-3-chloro-2-methylbenzamide
CID 107096806
N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide
CID 110484078
2-benzamido-6-fluorobenzoic acid
CID 13389963
2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43442788
2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid
CID 82810542
N-(2-amino-5-chlorophenyl)-3-chloro-2-methylbenzamide
CID 107095714
2-[(3-bromo-4-chlorobenzoyl)amino]-6-fluorobenzoic acid
CID 107997743
2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid
CID 13390039
2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid
CID 63722942
2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid
CID 107013606
3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
CID 107097222
N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 38953535

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid?
The IUPAC name of 2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid (CID 107095848) is 2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid?
The canonical SMILES for 2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid is Cc1c(Cl)cccc1C(=O)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid?
The InChIKey is YSVDUPAYXGZYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c1-8-9(4-2-5-10(8)16)14(19)18-12-7-3-6-11(17)13(12)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid?
2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid has a molecular weight of 307.71 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid is sourced from PubChem (CID 107095848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).