N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide

C16H14N2O2 — CID 103716734

IUPACN-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide
SMILESN#Cc1cccc(CNC(=O)C(O)c2ccccc2)c1
InChIInChI=1S/C16H14N2O2/c17-10-12-5-4-6-13(9-12)11-18-16(20)15(19)14-7-2-1-3-8-14/h1-9,15,19H,11H2,(H,18,20)
InChIKeyXBUMANKNNIBKCV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.91
Rot. Bonds4

About N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide

N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide (PubChem CID 103716734) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide
PubChem CID103716734
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide
SMILESN#Cc1cccc(CNC(=O)C(O)c2ccccc2)c1
InChIInChI=1S/C16H14N2O2/c17-10-12-5-4-6-13(9-12)11-18-16(20)15(19)14-7-2-1-3-8-14/h1-9,15,19H,11H2,(H,18,20)
InChIKeyXBUMANKNNIBKCV-UHFFFAOYSA-N
XLogP1.91
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-2-sulfanylpropanamide
CID 107028199
2-cyano-N-[(3-cyanophenyl)methyl]-3-methylbutanamide
CID 62312798
2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide
CID 76887376
1-[(3-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47186523
2-[(3-cyanophenyl)methylcarbamoylamino]acetic acid
CID 16795379
N-(cyanomethyl)-2-hydroxy-2-phenylacetamide
CID 103687126
N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide
CID 107168333
2-[(3-cyanophenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 55062272
2-[4-[[[3-(3-cyanophenyl)-2-[(2,2-diphenylacetyl)amino]propanoyl]amino]methyl]phenyl]acetic acid
CID 67614567
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
2-chloro-N-[(3-cyanophenyl)methylcarbamoyl]acetamide
CID 62313877
(2R)-2-[(3-cyanophenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 79010002

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide (CID 103716734) is N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide is N#Cc1cccc(CNC(=O)C(O)c2ccccc2)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is XBUMANKNNIBKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-10-12-5-4-6-13(9-12)11-18-16(20)15(19)14-7-2-1-3-8-14/h1-9,15,19H,11H2,(H,18,20).
What are the key properties of N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide?
N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 266.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 103716734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).