4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid

C17H15FN2O4 — CID 26158821

IUPAC4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H15FN2O4/c18-12-4-6-13(7-5-12)20-17(24)11-2-1-3-14(10-11)19-15(21)8-9-16(22)23/h1-7,10H,8-9H2,(H,19,21)(H,20,24)(H,22,23)
InChIKeyLRTWOVFPRPKASY-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.88
Rot. Bonds6

About 4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid

4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid (PubChem CID 26158821) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid
PubChem CID26158821
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H15FN2O4/c18-12-4-6-13(7-5-12)20-17(24)11-2-1-3-14(10-11)19-15(21)8-9-16(22)23/h1-7,10H,8-9H2,(H,19,21)(H,20,24)(H,22,23)
InChIKeyLRTWOVFPRPKASY-UHFFFAOYSA-N
XLogP2.88
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid
CID 26158966
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
N-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 26158889
3-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108795529
N-(4-fluorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 889139
N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 86817394
3-(benzoylcarbamothioylamino)-N-(4-fluorophenyl)benzamide
CID 26159726
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158844
N,N'-bis[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 43878146
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
CID 43877722
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid?
The IUPAC name of 4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid (CID 26158821) is 4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid?
The canonical SMILES for 4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid?
The InChIKey is LRTWOVFPRPKASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c18-12-4-6-13(7-5-12)20-17(24)11-2-1-3-14(10-11)19-15(21)8-9-16(22)23/h1-7,10H,8-9H2,(H,19,21)(H,20,24)(H,22,23).
What are the key properties of 4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid?
4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid has a molecular weight of 330.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid is sourced from PubChem (CID 26158821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).