N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide

C18H17ClFNO — CID 134017760

IUPACN-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c(Cl)c1
InChIInChI=1S/C18H17ClFNO/c1-12-3-8-16(15(19)11-12)21-17(22)18(9-2-10-18)13-4-6-14(20)7-5-13/h3-8,11H,2,9-10H2,1H3,(H,21,22)
InChIKeyKGLPMMDCVHNNIE-UHFFFAOYSA-N
MW317.79 g/mol
LogP4.85
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide

N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 134017760) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID134017760
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC NameN-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c(Cl)c1
InChIInChI=1S/C18H17ClFNO/c1-12-3-8-16(15(19)11-12)21-17(22)18(9-2-10-18)13-4-6-14(20)7-5-13/h3-8,11H,2,9-10H2,1H3,(H,21,22)
InChIKeyKGLPMMDCVHNNIE-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134022500
N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 60582532
N-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 134002638
N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439228
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 79851100
N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 52559237
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 112761225
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 99706775
N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439190
N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 86857924

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide (CID 134017760) is N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is KGLPMMDCVHNNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c1-12-3-8-16(15(19)11-12)21-17(22)18(9-2-10-18)13-4-6-14(20)7-5-13/h3-8,11H,2,9-10H2,1H3,(H,21,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 317.79 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 134017760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).