N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide

C19H26F2N2O — CID 118304721

IUPACN-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide
SMILESCC(C)(C)CN[C@@H]1C[C@H]1c1cccc(C(=O)NC2CC(F)(F)C2)c1
InChIInChI=1S/C19H26F2N2O/c1-18(2,3)11-22-16-8-15(16)12-5-4-6-13(7-12)17(24)23-14-9-19(20,21)10-14/h4-7,14-16,22H,8-11H2,1-3H3,(H,23,24)/t15-,16+/m0/s1
InChIKeyMNICAXBTUIQGJE-JKSUJKDBSA-N
MW336.43 g/mol
LogP3.71
Rot. Bonds5

About N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide

N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide (PubChem CID 118304721) has the molecular formula C19H26F2N2O and a molecular weight of 336.43 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide
PubChem CID118304721
Molecular FormulaC19H26F2N2O
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide
SMILESCC(C)(C)CN[C@@H]1C[C@H]1c1cccc(C(=O)NC2CC(F)(F)C2)c1
InChIInChI=1S/C19H26F2N2O/c1-18(2,3)11-22-16-8-15(16)12-5-4-6-13(7-12)17(24)23-14-9-19(20,21)10-14/h4-7,14-16,22H,8-11H2,1-3H3,(H,23,24)/t15-,16+/m0/s1
InChIKeyMNICAXBTUIQGJE-JKSUJKDBSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide 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

N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]benzamide
CID 118304719
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3,3-difluorocyclobutyl)benzamide;2,2,2-trifluoroacetic acid
CID 118304417
N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride
CID 118304120
N-(1-tert-butylpyrazol-4-yl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide;dihydrochloride
CID 118304229
3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide
CID 139384305
N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304068
N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304127
N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304729
2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol
CID 81411044
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide
CID 118304412
4-[[[(1R,2R)-2-[4-[(3,3-difluorocyclohexyl)carbamoyl]thiophen-2-yl]cyclopropyl]amino]methyl]benzoic acid
CID 154491709

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide (CID 118304721) is N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide is CC(C)(C)CN[C@@H]1C[C@H]1c1cccc(C(=O)NC2CC(F)(F)C2)c1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide?
The InChIKey is MNICAXBTUIQGJE-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H26F2N2O/c1-18(2,3)11-22-16-8-15(16)12-5-4-6-13(7-12)17(24)23-14-9-19(20,21)10-14/h4-7,14-16,22H,8-11H2,1-3H3,(H,23,24)/t15-,16+/m0/s1.
What are the key properties of N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide?
N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide has a molecular weight of 336.43 g/mol, XLogP of 3.71, 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-(2,2-dimethylpropylamino)cyclopropyl]benzamide is sourced from PubChem (CID 118304721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).