N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide

C19H18FNO2 — CID 110439190

IUPACN-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1
InChIInChI=1S/C19H18FNO2/c1-13(22)14-4-2-5-17(12-14)21-18(23)19(10-3-11-19)15-6-8-16(20)9-7-15/h2,4-9,12H,3,10-11H2,1H3,(H,21,23)
InChIKeyFGVMQJDHSBUANP-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.09
Rot. Bonds4

About N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide

N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 110439190) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID110439190
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC NameN-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1
InChIInChI=1S/C19H18FNO2/c1-13(22)14-4-2-5-17(12-14)21-18(23)19(10-3-11-19)15-6-8-16(20)9-7-15/h2,4-9,12H,3,10-11H2,1H3,(H,21,23)
InChIKeyFGVMQJDHSBUANP-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438589
N-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 46535412
N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110423595
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439228
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide
CID 55539101
1-(4-fluorophenyl)-N-(3-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 55979337
N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 110439373
1-(4-fluorophenyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]cyclobutane-1-carboxamide
CID 134025617
N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide
CID 95619879
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide (CID 110439190) is N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide is CC(=O)c1cccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is FGVMQJDHSBUANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-13(22)14-4-2-5-17(12-14)21-18(23)19(10-3-11-19)15-6-8-16(20)9-7-15/h2,4-9,12H,3,10-11H2,1H3,(H,21,23).
What are the key properties of N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 110439190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).