N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide

C17H14ClF2NO — CID 134022500

IUPACN-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1F)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C17H14ClF2NO/c18-12-4-7-14(20)15(10-12)21-16(22)17(8-1-9-17)11-2-5-13(19)6-3-11/h2-7,10H,1,8-9H2,(H,21,22)
InChIKeyJJFMHAKTKMGIRO-UHFFFAOYSA-N
MW321.75 g/mol
LogP4.68
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide

N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 134022500) has the molecular formula C17H14ClF2NO and a molecular weight of 321.75 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID134022500
Molecular FormulaC17H14ClF2NO
Molecular Weight321.75 g/mol
Exact Mass321.07
IUPAC NameN-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1F)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C17H14ClF2NO/c18-12-4-7-14(20)15(10-12)21-16(22)17(8-1-9-17)11-2-5-13(19)6-3-11/h2-7,10H,1,8-9H2,(H,21,22)
InChIKeyJJFMHAKTKMGIRO-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.75
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 134002638
N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134017760
N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 27445227
N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439228
1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide
CID 54925189
N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 52559237
1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 26357521
N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 60582532
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 46541078
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 7914599
1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide
CID 55539101

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide (CID 134022500) is N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide is O=C(Nc1cc(Cl)ccc1F)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is JJFMHAKTKMGIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO/c18-12-4-7-14(20)15(10-12)21-16(22)17(8-1-9-17)11-2-5-13(19)6-3-11/h2-7,10H,1,8-9H2,(H,21,22).
What are the key properties of N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 321.75 g/mol, XLogP of 4.68, 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-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 134022500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).