2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid

C15H12FNO3 — CID 16792926

IUPAC2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H12FNO3/c16-12-3-1-2-11(9-12)15(20)17-13-6-4-10(5-7-13)8-14(18)19/h1-7,9H,8H2,(H,17,20)(H,18,19)
InChIKeyRTIMUSDVQJVDOI-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.71
Rot. Bonds4

About 2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid

2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid (PubChem CID 16792926) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
PubChem CID16792926
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H12FNO3/c16-12-3-1-2-11(9-12)15(20)17-13-6-4-10(5-7-13)8-14(18)19/h1-7,9H,8H2,(H,17,20)(H,18,19)
InChIKeyRTIMUSDVQJVDOI-UHFFFAOYSA-N
XLogP2.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-fluorobenzoyl)carbamothioylamino]phenyl]acetic acid
CID 28687153
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434759
2-[4-(3-fluorobenzoyl)phenyl]acetic acid
CID 82120891
diethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium
CID 7470003
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid
CID 62648476
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980338
3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6949966
4-[4-[(3-fluorobenzoyl)amino]phenyl]-4-nitrosobutanoic acid
CID 91473317
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid (CID 16792926) is 2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid?
The InChIKey is RTIMUSDVQJVDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-12-3-1-2-11(9-12)15(20)17-13-6-4-10(5-7-13)8-14(18)19/h1-7,9H,8H2,(H,17,20)(H,18,19).
What are the key properties of 2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid?
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid has a molecular weight of 273.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 16792926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).