N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride

C20H25ClF4N2O — CID 118304120

IUPACN-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride
SMILESCl.O=C(NC1CC(F)(F)C1)c1cccc([C@@H]2C[C@H]2NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C20H24F4N2O.ClH/c21-19(22)6-4-14(5-7-19)25-17-9-16(17)12-2-1-3-13(8-12)18(27)26-15-10-20(23,24)11-15;/h1-3,8,14-17,25H,4-7,9-11H2,(H,26,27);1H/t16-,17+;/m0./s1
InChIKeyFZHFQXIHPJQDAW-MCJVGQIASA-N
MW420.88 g/mol
LogP4.66
Rot. Bonds5

About N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride

N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride (PubChem CID 118304120) has the molecular formula C20H25ClF4N2O and a molecular weight of 420.88 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride
PubChem CID118304120
Molecular FormulaC20H25ClF4N2O
Molecular Weight420.88 g/mol
Exact Mass420.16
IUPAC NameN-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride
SMILESCl.O=C(NC1CC(F)(F)C1)c1cccc([C@@H]2C[C@H]2NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C20H24F4N2O.ClH/c21-19(22)6-4-14(5-7-19)25-17-9-16(17)12-2-1-3-13(8-12)18(27)26-15-10-20(23,24)11-15;/h1-3,8,14-17,25H,4-7,9-11H2,(H,26,27);1H/t16-,17+;/m0./s1
InChIKeyFZHFQXIHPJQDAW-MCJVGQIASA-N
XLogP4.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide;dihydrochloride
CID 118304267
N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]benzamide
CID 118304719
N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide
CID 118304721
1-[3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone
CID 147276519
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3,3-difluorocyclobutyl)benzamide;2,2,2-trifluoroacetic acid
CID 118304417
N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304127
3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide
CID 139384305
5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
CID 118432734
3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzaldehyde;N-methyloxan-4-amine
CID 144605469
1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone
CID 147506241
5-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride
CID 118304597
3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 118304644

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride?
The IUPAC name of N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride (CID 118304120) is N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride is Cl.O=C(NC1CC(F)(F)C1)c1cccc([C@@H]2C[C@H]2NC2CCC(F)(F)CC2)c1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride?
The InChIKey is FZHFQXIHPJQDAW-MCJVGQIASA-N. The full InChI is InChI=1S/C20H24F4N2O.ClH/c21-19(22)6-4-14(5-7-19)25-17-9-16(17)12-2-1-3-13(8-12)18(27)26-15-10-20(23,24)11-15;/h1-3,8,14-17,25H,4-7,9-11H2,(H,26,27);1H/t16-,17+;/m0./s1.
What are the key properties of N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride?
N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride has a molecular weight of 420.88 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride is sourced from PubChem (CID 118304120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).