5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid

C16H14FNO3 — CID 63652796

IUPAC5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cc(F)ccc2C)cc1C(=O)O
InChIInChI=1S/C16H14FNO3/c1-9-3-5-11(17)7-13(9)15(19)18-12-6-4-10(2)14(8-12)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyUMBMBTARXBLANG-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.39
Rot. Bonds3

About 5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid

5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid (PubChem CID 63652796) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
PubChem CID63652796
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cc(F)ccc2C)cc1C(=O)O
InChIInChI=1S/C16H14FNO3/c1-9-3-5-11(17)7-13(9)15(19)18-12-6-4-10(2)14(8-12)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyUMBMBTARXBLANG-UHFFFAOYSA-N
XLogP3.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 63653506
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
CID 62033554
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298490
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
CID 62057344
5-[(2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63654708
5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
CID 63654176
5-[(2,2-difluoroacetyl)amino]-2-methylbenzoic acid
CID 103513291

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid (CID 63652796) is 5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid is Cc1ccc(NC(=O)c2cc(F)ccc2C)cc1C(=O)O.
What is the InChIKey of 5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid?
The InChIKey is UMBMBTARXBLANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-9-3-5-11(17)7-13(9)15(19)18-12-6-4-10(2)14(8-12)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid?
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid has a molecular weight of 287.29 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 63652796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).