2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoic acid

C19H20FNO3 — CID 127041515

IUPAC2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C19H20FNO3/c1-2-15(19(23)24)11-13-3-7-16(8-4-13)18(22)21-12-14-5-9-17(20)10-6-14/h3-10,15H,2,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyPCVGCPXIVJXBHS-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.41
Rot. Bonds7

About 2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoic acid

2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoic acid (PubChem CID 127041515) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoic acid
PubChem CID127041515
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C19H20FNO3/c1-2-15(19(23)24)11-13-3-7-16(8-4-13)18(22)21-12-14-5-9-17(20)10-6-14/h3-10,15H,2,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyPCVGCPXIVJXBHS-UHFFFAOYSA-N
XLogP3.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
(-)-cis-2-Benzamidocyclohexanecarboxylic Acid
CID 1268226
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
Benzoyl-L-phenylalanine
CID 97370
l-Phenylalanine-, N-(p-toluoyl)-, methyl ester
CID 531438
(E)-3-[3-(3-methylbut-2-enyl)-5-(2-phenylethylcarbamoyl)phenyl]prop-2-enoic acid
CID 135304497
4-fluoro-N-(3-phenylpropyl)benzamide
CID 2164200
3-fluoro-N-(4-phenylbutan-2-yl)benzamide
CID 2914829
3-Phenyl-3-phenylacetylamino-propionic acid
CID 3102733
6-[[4-(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic Acid
CID 5159834
N-(3-phenylpropyl)-4-(propan-2-yl)benzamide
CID 2169905

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoic acid?
The IUPAC name of 2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoic acid (CID 127041515) is 2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoic acid.
What is the SMILES notation for 2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoic acid?
The canonical SMILES for 2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoic acid is CCC(Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1)C(=O)O.
What is the InChIKey of 2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoic acid?
The InChIKey is PCVGCPXIVJXBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-2-15(19(23)24)11-13-3-7-16(8-4-13)18(22)21-12-14-5-9-17(20)10-6-14/h3-10,15H,2,11-12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoic acid?
2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoic acid has a molecular weight of 329.37 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]methyl]butanoic acid is sourced from PubChem (CID 127041515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).