2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid

C15H12ClFN2O3 — CID 68695739

IUPAC2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid
SMILESNC(=O)N(c1ccc(Cl)cc1)C(C(=O)O)c1ccccc1F
InChIInChI=1S/C15H12ClFN2O3/c16-9-5-7-10(8-6-9)19(15(18)22)13(14(20)21)11-3-1-2-4-12(11)17/h1-8,13H,(H2,18,22)(H,20,21)
InChIKeyJIXWAEMJYAMJCC-UHFFFAOYSA-N
MW322.72 g/mol
LogP3.19
Rot. Bonds4

About 2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid

2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid (PubChem CID 68695739) has the molecular formula C15H12ClFN2O3 and a molecular weight of 322.72 g/mol. Its IUPAC name is 2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid
PubChem CID68695739
Molecular FormulaC15H12ClFN2O3
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid
SMILESNC(=O)N(c1ccc(Cl)cc1)C(C(=O)O)c1ccccc1F
InChIInChI=1S/C15H12ClFN2O3/c16-9-5-7-10(8-6-9)19(15(18)22)13(14(20)21)11-3-1-2-4-12(11)17/h1-8,13H,(H2,18,22)(H,20,21)
InChIKeyJIXWAEMJYAMJCC-UHFFFAOYSA-N
XLogP3.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-carbamoyl-4-chloroanilino)-2-(2-iodophenyl)acetic acid
CID 68693242
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid
CID 84746440
2-(N-carbamoyl-4-chloroanilino)-2-(2-chlorophenyl)-N-[4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
CID 68691124
2-(N-carbamoyl-4-chloroanilino)-2-(2-methylphenyl)-N-[4-[methyl(pyridin-4-yl)amino]phenyl]acetamide
CID 68693127
2-[benzyl(methyl)amino]-2-(2-fluorophenyl)acetic acid
CID 84751337
(2S)-2-(N-carbamoylanilino)propanoic acid
CID 54468578
sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride
CID 173282392
2,3-diamino-3-(2-fluorophenyl)propanoic acid
CID 116942285
2-(2-bromophenyl)-2-(N-carbamoyl-4-chloroanilino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 68692628
2-fluoro-2-(2-fluorophenyl)acetamide
CID 115013813
2-(2-fluorophenyl)-2-phenylacetamide
CID 122446902

Frequently Asked Questions

What is the IUPAC name of 2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid?
The IUPAC name of 2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid (CID 68695739) is 2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid?
The canonical SMILES for 2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid is NC(=O)N(c1ccc(Cl)cc1)C(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid?
The InChIKey is JIXWAEMJYAMJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O3/c16-9-5-7-10(8-6-9)19(15(18)22)13(14(20)21)11-3-1-2-4-12(11)17/h1-8,13H,(H2,18,22)(H,20,21).
What are the key properties of 2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid?
2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid has a molecular weight of 322.72 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-carbamoyl-4-chloroanilino)-2-(2-fluorophenyl)acetic acid is sourced from PubChem (CID 68695739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).