2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid

C17H16FNO4 — CID 85473078

IUPAC2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(CCCO)c(F)c1
InChIInChI=1S/C17H16FNO4/c18-15-10-12(8-7-11(15)4-3-9-20)19-16(21)13-5-1-2-6-14(13)17(22)23/h1-2,5-8,10,20H,3-4,9H2,(H,19,21)(H,22,23)
InChIKeyHEGAYCZDRDGJQT-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.70
Rot. Bonds6

About 2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid

2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid (PubChem CID 85473078) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid
PubChem CID85473078
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(CCCO)c(F)c1
InChIInChI=1S/C17H16FNO4/c18-15-10-12(8-7-11(15)4-3-9-20)19-16(21)13-5-1-2-6-14(13)17(22)23/h1-2,5-8,10,20H,3-4,9H2,(H,19,21)(H,22,23)
InChIKeyHEGAYCZDRDGJQT-UHFFFAOYSA-N
XLogP2.70
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid
CID 118894327
2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
CID 61236618
2-[(4-butyl-3-cyanophenyl)carbamoyl]benzoic acid
CID 90451445
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
2-[[4-[(2-fluorophenyl)methylsulfanyl]phenyl]carbamoyl]benzoic acid
CID 22784520
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
2-[[3-cyano-4-(3-oxobutyl)phenyl]carbamoyl]benzoic acid
CID 157435847
4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid
CID 66574423
2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 103867338
2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide
CID 71919701
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
2-[(3-acetyl-4-chlorophenyl)carbamoyl]benzoic acid
CID 85472718

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid (CID 85473078) is 2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1ccc(CCCO)c(F)c1.
What is the InChIKey of 2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is HEGAYCZDRDGJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c18-15-10-12(8-7-11(15)4-3-9-20)19-16(21)13-5-1-2-6-14(13)17(22)23/h1-2,5-8,10,20H,3-4,9H2,(H,19,21)(H,22,23).
What are the key properties of 2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid?
2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid has a molecular weight of 317.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-4-(3-hydroxypropyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 85473078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).