N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide

C14H15ClN2O — CID 80592438

IUPACN-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)C1(C#N)CC1
InChIInChI=1S/C14H15ClN2O/c1-10(11-4-3-5-12(15)8-11)17(2)13(18)14(9-16)6-7-14/h3-5,8,10H,6-7H2,1-2H3
InChIKeyCWJFDBIFKRNHDS-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.16
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide

N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide (PubChem CID 80592438) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide
PubChem CID80592438
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)C1(C#N)CC1
InChIInChI=1S/C14H15ClN2O/c1-10(11-4-3-5-12(15)8-11)17(2)13(18)14(9-16)6-7-14/h3-5,8,10H,6-7H2,1-2H3
InChIKeyCWJFDBIFKRNHDS-UHFFFAOYSA-N
XLogP3.16
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide
CID 80593462
N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80592129
N-[1-(3-chlorophenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63144005
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974771
N-[1-(3-chlorophenyl)ethyl]-2-cyano-N,2-dimethylbutanamide
CID 114291470
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62983892
N-[1-(3-chlorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655792
(2S)-2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 93469731
1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1-methylurea
CID 47306886
(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide
CID 61157254
4-[1-(3-chlorophenyl)ethyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992749
N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115589168

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide (CID 80592438) is N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide is CC(c1cccc(Cl)c1)N(C)C(=O)C1(C#N)CC1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide?
The InChIKey is CWJFDBIFKRNHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10(11-4-3-5-12(15)8-11)17(2)13(18)14(9-16)6-7-14/h3-5,8,10H,6-7H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide has a molecular weight of 262.74 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 80592438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).