N-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide

C15H11ClN2O — CID 168521018

IUPACN-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H11ClN2O/c16-13-3-1-2-12(10-13)11-4-6-14(7-5-11)18-15(19)8-9-17/h1-7,10H,8H2,(H,18,19)
InChIKeyCBPVHWUQFWOFND-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.86
Rot. Bonds3

About N-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide

N-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide (PubChem CID 168521018) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide
PubChem CID168521018
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC NameN-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H11ClN2O/c16-13-3-1-2-12(10-13)11-4-6-14(7-5-11)18-15(19)8-9-17/h1-7,10H,8H2,(H,18,19)
InChIKeyCBPVHWUQFWOFND-UHFFFAOYSA-N
XLogP3.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide
CID 108922593
N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 2475447
2-cyano-N-(4-naphthalen-2-ylphenyl)acetamide
CID 168520254
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
3-chloro-N-[2-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922875
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide
CID 168521501
3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide
CID 108922560
2-cyano-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 17069573
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide?
The IUPAC name of N-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide (CID 168521018) is N-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide?
The canonical SMILES for N-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide is N#CCC(=O)Nc1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide?
The InChIKey is CBPVHWUQFWOFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-13-3-1-2-12(10-13)11-4-6-14(7-5-11)18-15(19)8-9-17/h1-7,10H,8H2,(H,18,19).
What are the key properties of N-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide?
N-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide has a molecular weight of 270.72 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide is sourced from PubChem (CID 168521018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).