2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid

C15H12FNO4 — CID 107013606

IUPAC2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid
SMILESCc1cccc(NC(=O)c2c(O)cccc2F)c1C(=O)O
InChIInChI=1S/C15H12FNO4/c1-8-4-2-6-10(12(8)15(20)21)17-14(19)13-9(16)5-3-7-11(13)18/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyDVOCROQLHVMFQV-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.79
Rot. Bonds3

About 2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid

2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid (PubChem CID 107013606) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid
PubChem CID107013606
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid
SMILESCc1cccc(NC(=O)c2c(O)cccc2F)c1C(=O)O
InChIInChI=1S/C15H12FNO4/c1-8-4-2-6-10(12(8)15(20)21)17-14(19)13-9(16)5-3-7-11(13)18/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyDVOCROQLHVMFQV-UHFFFAOYSA-N
XLogP2.79
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-hydroxy-N-(3-hydroxy-2-methylphenyl)benzamide
CID 107015430
2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid
CID 82810542
N-(2,5-difluoro-4-methylphenyl)-2-fluoro-6-hydroxybenzamide
CID 107015415
2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid
CID 114343361
2-fluoro-6-methylbenzoic acid
CID 13478132
2-acetamido-6-methylbenzoic acid
CID 2801400
2-fluoro-6-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 104917973
2,6-dihydroxy-N-(2-methylphenyl)benzamide
CID 113347043
2-fluoro-6-hydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 104916685
2-benzamido-6-fluorobenzoic acid
CID 13389963
2-fluoro-6-hydroxy-N-(4-methoxy-2-methylphenyl)benzamide
CID 104917345
2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid
CID 107702397

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid?
The IUPAC name of 2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid (CID 107013606) is 2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid.
What is the SMILES notation for 2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid?
The canonical SMILES for 2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid is Cc1cccc(NC(=O)c2c(O)cccc2F)c1C(=O)O.
What is the InChIKey of 2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid?
The InChIKey is DVOCROQLHVMFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-8-4-2-6-10(12(8)15(20)21)17-14(19)13-9(16)5-3-7-11(13)18/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid?
2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid has a molecular weight of 289.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid is sourced from PubChem (CID 107013606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).