1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide

C16H20ClF2NO — CID 86874276

IUPAC1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide
SMILESCCCN(CC(F)F)C(=O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C16H20ClF2NO/c1-2-9-20(11-14(18)19)15(21)16(7-4-8-16)12-5-3-6-13(17)10-12/h3,5-6,10,14H,2,4,7-9,11H2,1H3
InChIKeyQKEJTBNYNIVPIQ-UHFFFAOYSA-N
MW315.79 g/mol
LogP4.27
Rot. Bonds6

About 1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide

1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide (PubChem CID 86874276) has the molecular formula C16H20ClF2NO and a molecular weight of 315.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide
PubChem CID86874276
Molecular FormulaC16H20ClF2NO
Molecular Weight315.79 g/mol
Exact Mass315.12
IUPAC Name1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide
SMILESCCCN(CC(F)F)C(=O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C16H20ClF2NO/c1-2-9-20(11-14(18)19)15(21)16(7-4-8-16)12-5-3-6-13(17)10-12/h3,5-6,10,14H,2,4,7-9,11H2,1H3
InChIKeyQKEJTBNYNIVPIQ-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[1-(3-methylphenyl)cyclobutanecarbonyl]-propylamino]acetic acid
CID 61012880
1-(3-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylcyclobutane-1-carboxamide
CID 55539017
1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 102867355
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520
N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide
CID 63392759
1-(3-chlorophenyl)cyclopentane-1-carboxylate
CID 26365664
3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide
CID 55920544
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 108978828
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide
CID 103825229
[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide (CID 86874276) is 1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide is CCCN(CC(F)F)C(=O)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide?
The InChIKey is QKEJTBNYNIVPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF2NO/c1-2-9-20(11-14(18)19)15(21)16(7-4-8-16)12-5-3-6-13(17)10-12/h3,5-6,10,14H,2,4,7-9,11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide?
1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide has a molecular weight of 315.79 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide is sourced from PubChem (CID 86874276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).