N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide

C18H18ClNO — CID 27445227

IUPACN-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H18ClNO/c1-13-8-9-15(19)12-16(13)20-17(21)18(10-5-11-18)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,21)
InChIKeyXTNDKFLBQPPAOG-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.71
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide

N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide (PubChem CID 27445227) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide
PubChem CID27445227
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC NameN-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H18ClNO/c1-13-8-9-15(19)12-16(13)20-17(21)18(10-5-11-18)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,21)
InChIKeyXTNDKFLBQPPAOG-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
N-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100789064
N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 52559237
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 4135962
N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134022500
N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 51073188
N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 7914599
N-(5-acetamido-2-methylphenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439155
1-amino-N-(5-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 65465047
N-(5-chloro-2-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 113198728
1-N-(3-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982630
methyl 4-chloro-3-[(1-phenylcyclobutanecarbonyl)amino]benzoate
CID 110438531

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide (CID 27445227) is N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide?
The InChIKey is XTNDKFLBQPPAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-13-8-9-15(19)12-16(13)20-17(21)18(10-5-11-18)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide?
N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 27445227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).