2-(4-cyanoanilino)-2-phenylacetic acid

C15H12N2O2 — CID 22039129

IUPAC2-(4-cyanoanilino)-2-phenylacetic acid
SMILESN#Cc1ccc(NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C15H12N2O2/c16-10-11-6-8-13(9-7-11)17-14(15(18)19)12-4-2-1-3-5-12/h1-9,14,17H,(H,18,19)
InChIKeyVIZMTXHMEHGFHA-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.80
Rot. Bonds4

About 2-(4-cyanoanilino)-2-phenylacetic acid

2-(4-cyanoanilino)-2-phenylacetic acid (PubChem CID 22039129) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(4-cyanoanilino)-2-phenylacetic acid
PubChem CID22039129
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(4-cyanoanilino)-2-phenylacetic acid
SMILESN#Cc1ccc(NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C15H12N2O2/c16-10-11-6-8-13(9-7-11)17-14(15(18)19)12-4-2-1-3-5-12/h1-9,14,17H,(H,18,19)
InChIKeyVIZMTXHMEHGFHA-UHFFFAOYSA-N
XLogP2.80
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-anilino-2-phenylacetic acid
CID 6999890
(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid
CID 30112923
2-(3-amino-5-methylphenyl)-2-(4-cyanoanilino)acetic acid
CID 22039818
ethyl (2S)-2-anilino-2-(4-cyanophenyl)acetate
CID 86338761
2-(4-tert-butylanilino)-2-phenylacetic acid
CID 103232176
2-(4-cyanoanilino)-2-(3-ethyl-5-hydroxyphenyl)acetic acid
CID 22039520
3-[carboxy-(4-cyanoanilino)methyl]-5-(hydroxymethyl)benzoic acid
CID 22039162
4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile
CID 43826622
4-[(2-methyl-1-phenylpropyl)amino]benzonitrile
CID 43433051
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
5-[carboxy-(4-cyanoanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 22665972
2-(3,4-difluoroanilino)-2-phenylacetic acid
CID 70136310

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-2-phenylacetic acid?
The IUPAC name of 2-(4-cyanoanilino)-2-phenylacetic acid (CID 22039129) is 2-(4-cyanoanilino)-2-phenylacetic acid.
What is the SMILES notation for 2-(4-cyanoanilino)-2-phenylacetic acid?
The canonical SMILES for 2-(4-cyanoanilino)-2-phenylacetic acid is N#Cc1ccc(NC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-2-phenylacetic acid?
The InChIKey is VIZMTXHMEHGFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-10-11-6-8-13(9-7-11)17-14(15(18)19)12-4-2-1-3-5-12/h1-9,14,17H,(H,18,19).
What are the key properties of 2-(4-cyanoanilino)-2-phenylacetic acid?
2-(4-cyanoanilino)-2-phenylacetic acid has a molecular weight of 252.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-2-phenylacetic acid is sourced from PubChem (CID 22039129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).