N-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide

C15H17ClN2O — CID 80593462

IUPACN-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)C1(C#N)CCC1
InChIInChI=1S/C15H17ClN2O/c1-11(12-4-6-13(16)7-5-12)18(2)14(19)15(10-17)8-3-9-15/h4-7,11H,3,8-9H2,1-2H3
InChIKeyOMCGIFIZGFUIRS-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.55
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide

N-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide (PubChem CID 80593462) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide
PubChem CID80593462
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)C1(C#N)CCC1
InChIInChI=1S/C15H17ClN2O/c1-11(12-4-6-13(16)7-5-12)18(2)14(19)15(10-17)8-3-9-15/h4-7,11H,3,8-9H2,1-2H3
InChIKeyOMCGIFIZGFUIRS-UHFFFAOYSA-N
XLogP3.55
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80592438
N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80592129
N-[1-(4-chlorophenyl)ethyl]-2-cyano-N,2-dimethylpropanamide
CID 55141055
N-[(4-chlorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80597882
2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide
CID 95934995
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173083
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54870564
1-cyano-N-methyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 80599221
N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide
CID 166408201
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide
CID 111758296

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide (CID 80593462) is N-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide is CC(c1ccc(Cl)cc1)N(C)C(=O)C1(C#N)CCC1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide?
The InChIKey is OMCGIFIZGFUIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11(12-4-6-13(16)7-5-12)18(2)14(19)15(10-17)8-3-9-15/h4-7,11H,3,8-9H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide has a molecular weight of 276.77 g/mol, XLogP of 3.55, 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]-1-cyano-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80593462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).