N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide

C18H17ClFNO — CID 52559237

IUPACN-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C18H17ClFNO/c1-12-10-14(19)6-7-16(12)21-17(22)18(8-3-9-18)13-4-2-5-15(20)11-13/h2,4-7,10-11H,3,8-9H2,1H3,(H,21,22)
InChIKeyJERNAZJEUIBAAI-UHFFFAOYSA-N
MW317.79 g/mol
LogP4.85
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide

N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 52559237) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID52559237
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC NameN-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C18H17ClFNO/c1-12-10-14(19)6-7-16(12)21-17(22)18(8-3-9-18)13-4-2-5-15(20)11-13/h2,4-7,10-11H,3,8-9H2,1H3,(H,21,22)
InChIKeyJERNAZJEUIBAAI-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

1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380
N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 7914599
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 32983634
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide
CID 86982921
N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 27445227
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
N-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide
CID 126766616
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134022500
1-N-(3-chloro-2-methylphenyl)-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982631
1-N'-(5-chloro-2-methylphenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982710
N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438923

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide (CID 52559237) is N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide is Cc1cc(Cl)ccc1NC(=O)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is JERNAZJEUIBAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c1-12-10-14(19)6-7-16(12)21-17(22)18(8-3-9-18)13-4-2-5-15(20)11-13/h2,4-7,10-11H,3,8-9H2,1H3,(H,21,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
N-(4-chloro-2-methylphenyl)-1-(3-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-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 52559237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).