N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide

C14H17ClN2O — CID 55141055

IUPACN-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)C(C)(C)C#N
InChIInChI=1S/C14H17ClN2O/c1-10(11-5-7-12(15)8-6-11)17(4)13(18)14(2,3)9-16/h5-8,10H,1-4H3
InChIKeyQWAOCYHXCLCDNX-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.41
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide

N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide (PubChem CID 55141055) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide
PubChem CID55141055
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)C(C)(C)C#N
InChIInChI=1S/C14H17ClN2O/c1-10(11-5-7-12(15)8-6-11)17(4)13(18)14(2,3)9-16/h5-8,10H,1-4H3
InChIKeyQWAOCYHXCLCDNX-UHFFFAOYSA-N
XLogP3.41
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide
CID 166408201
(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929186
N-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide
CID 80593462
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
N-[1-(3-chlorophenyl)ethyl]-2-cyano-N,2-dimethylbutanamide
CID 114291470
1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea
CID 115618579
N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134003912
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806
3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 63681333
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide
CID 8636918

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide (CID 55141055) is N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide is CC(c1ccc(Cl)cc1)N(C)C(=O)C(C)(C)C#N.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide?
The InChIKey is QWAOCYHXCLCDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-10(11-5-7-12(15)8-6-11)17(4)13(18)14(2,3)9-16/h5-8,10H,1-4H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide?
N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide has a molecular weight of 264.76 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide is sourced from PubChem (CID 55141055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).