N-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide

C15H17ClN2O — CID 80502296

IUPACN-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)N(C)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C15H17ClN2O/c1-11-7-15(8-11,10-17)14(19)18(2)9-12-4-3-5-13(16)6-12/h3-6,11H,7-9H2,1-2H3
InChIKeyAQZHKCXLMQRTQR-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.24
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide

N-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide (PubChem CID 80502296) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
PubChem CID80502296
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)N(C)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C15H17ClN2O/c1-11-7-15(8-11,10-17)14(19)18(2)9-12-4-3-5-13(16)6-12/h3-6,11H,7-9H2,1-2H3
InChIKeyAQZHKCXLMQRTQR-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
CID 80500969
N-[(5-chlorothiophen-2-yl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
CID 80502166
N-[(4-chlorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80597882
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 115181647
N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide
CID 80501320
1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide
CID 80501445
1-[(Z)-N'-hydroxycarbamimidoyl]-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80592200
N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18112585
N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63139872
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918657
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide (CID 80502296) is N-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)N(C)Cc2cccc(Cl)c2)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is AQZHKCXLMQRTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11-7-15(8-11,10-17)14(19)18(2)9-12-4-3-5-13(16)6-12/h3-6,11H,7-9H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide?
N-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 276.77 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 80502296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).