N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide

C16H13ClN2O — CID 4823964

IUPACN-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
SMILESCC(NC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O/c1-11(13-6-8-15(17)9-7-13)19-16(20)14-4-2-12(10-18)3-5-14/h2-9,11H,1H3,(H,19,20)
InChIKeyVZPDNNWZFRDUNQ-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.70
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide

N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide (PubChem CID 4823964) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
PubChem CID4823964
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
SMILESCC(NC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O/c1-11(13-6-8-15(17)9-7-13)19-16(20)14-4-2-12(10-18)3-5-14/h2-9,11H,1H3,(H,19,20)
InChIKeyVZPDNNWZFRDUNQ-UHFFFAOYSA-N
XLogP3.70
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106
4-[1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81353264
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 55582791
N-[1-(4-cyanophenyl)ethyl]-4-(methoxysulfamoyl)benzamide
CID 55706292
N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
CID 78797054

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide (CID 4823964) is N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide is CC(NC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide?
The InChIKey is VZPDNNWZFRDUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11(13-6-8-15(17)9-7-13)19-16(20)14-4-2-12(10-18)3-5-14/h2-9,11H,1H3,(H,19,20).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide?
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide has a molecular weight of 284.75 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide is sourced from PubChem (CID 4823964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).