1-cyano-N-(2,6-dichloro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide

C14H14Cl2N2O — CID 80599416

IUPAC1-cyano-N-(2,6-dichloro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)C2(C#N)CC(C)C2)c1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-8-5-14(6-8,7-17)13(19)18-12-10(15)4-3-9(2)11(12)16/h3-4,8H,5-6H2,1-2H3,(H,18,19)
InChIKeyQWNHOSLSUSHJQA-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.18
Rot. Bonds2

About 1-cyano-N-(2,6-dichloro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide

1-cyano-N-(2,6-dichloro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 80599416) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-cyano-N-(2,6-dichloro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,6-dichloro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide
PubChem CID80599416
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name1-cyano-N-(2,6-dichloro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)C2(C#N)CC(C)C2)c1Cl
InChIInChI=1S/C14H14Cl2N2O/c1-8-5-14(6-8,7-17)13(19)18-12-10(15)4-3-9(2)11(12)16/h3-4,8H,5-6H2,1-2H3,(H,18,19)
InChIKeyQWNHOSLSUSHJQA-UHFFFAOYSA-N
XLogP4.18
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 103771809
1-cyano-3-methyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 80501128
N-(3-bromo-4-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 80501438
1-cyano-3-methyl-N-(2,4,6-trifluorophenyl)cyclobutane-1-carboxamide
CID 80592255
1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide
CID 113351969
N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 66257240
1-cyano-3-methyl-N-(4-methyl-2-nitrophenyl)cyclobutane-1-carboxamide
CID 107857076
N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930472
N-(2,6-dichloro-3-methylphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127324
N-(2-bromo-4-cyanophenyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 107790779
N-(5-bromo-6-methyl-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 80593348
1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376574

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,6-dichloro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,6-dichloro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide (CID 80599416) is 1-cyano-N-(2,6-dichloro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,6-dichloro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,6-dichloro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide is Cc1ccc(Cl)c(NC(=O)C2(C#N)CC(C)C2)c1Cl.
What is the InChIKey of 1-cyano-N-(2,6-dichloro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is QWNHOSLSUSHJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-8-5-14(6-8,7-17)13(19)18-12-10(15)4-3-9(2)11(12)16/h3-4,8H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 1-cyano-N-(2,6-dichloro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide?
1-cyano-N-(2,6-dichloro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 297.19 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,6-dichloro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80599416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).