N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide

C14H15ClN2O — CID 80592129

IUPACN-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)C1(C#N)CC1
InChIInChI=1S/C14H15ClN2O/c1-10(11-5-3-4-6-12(11)15)17(2)13(18)14(9-16)7-8-14/h3-6,10H,7-8H2,1-2H3
InChIKeyJNKUULCEZUWQCY-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.16
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide

N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide (PubChem CID 80592129) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide
PubChem CID80592129
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)C1(C#N)CC1
InChIInChI=1S/C14H15ClN2O/c1-10(11-5-3-4-6-12(11)15)17(2)13(18)14(9-16)7-8-14/h3-6,10H,7-8H2,1-2H3
InChIKeyJNKUULCEZUWQCY-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

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Related Compounds

1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81172128
N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80592438
N-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide
CID 80593462
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 55097238
1-cyano-N-methyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 80599221
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-sulfanylpropanamide
CID 107029047
N-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide
CID 63130733
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107029044
N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62729337
2-[[1-(2-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62984778
1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 54874342

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide (CID 80592129) is N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide is CC(c1ccccc1Cl)N(C)C(=O)C1(C#N)CC1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide?
The InChIKey is JNKUULCEZUWQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10(11-5-3-4-6-12(11)15)17(2)13(18)14(9-16)7-8-14/h3-6,10H,7-8H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide?
N-[1-(2-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-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 80592129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).