2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid

C15H12FNO4 — CID 20714672

IUPAC2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid
SMILESO=C(NCc1cccc(O)c1)c1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H12FNO4/c16-13-7-10(4-5-12(13)15(20)21)14(19)17-8-9-2-1-3-11(18)6-9/h1-7,18H,8H2,(H,17,19)(H,20,21)
InChIKeySHIVZTRZDREDFS-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.16
Rot. Bonds4

About 2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid

2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid (PubChem CID 20714672) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid
PubChem CID20714672
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid
SMILESO=C(NCc1cccc(O)c1)c1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C15H12FNO4/c16-13-7-10(4-5-12(13)15(20)21)14(19)17-8-9-2-1-3-11(18)6-9/h1-7,18H,8H2,(H,17,19)(H,20,21)
InChIKeySHIVZTRZDREDFS-UHFFFAOYSA-N
XLogP2.16
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292194
2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
CID 79795606
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199
N-benzyl-3,4-difluorobenzamide
CID 1294460
2-bromo-4-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292077
5-bromo-2-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292159
N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677678
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide
CID 47292127
N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289
N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide
CID 114302295
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid?
The IUPAC name of 2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid (CID 20714672) is 2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid is O=C(NCc1cccc(O)c1)c1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid?
The InChIKey is SHIVZTRZDREDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c16-13-7-10(4-5-12(13)15(20)21)14(19)17-8-9-2-1-3-11(18)6-9/h1-7,18H,8H2,(H,17,19)(H,20,21).
What are the key properties of 2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid?
2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid has a molecular weight of 289.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid is sourced from PubChem (CID 20714672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).