3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide

C17H24ClFN2O — CID 169215470

IUPAC3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide
SMILESCCC(C)(C)CNC1CC(NC(=O)c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C17H24ClFN2O/c1-4-17(2,3)10-20-14-8-15(9-14)21-16(22)11-5-12(18)7-13(19)6-11/h5-7,14-15,20H,4,8-10H2,1-3H3,(H,21,22)
InChIKeyDSEIYFQLKDHIKM-UHFFFAOYSA-N
MW326.84 g/mol
LogP3.77
Rot. Bonds6

About 3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide

3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide (PubChem CID 169215470) has the molecular formula C17H24ClFN2O and a molecular weight of 326.84 g/mol. Its IUPAC name is 3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide
PubChem CID169215470
Molecular FormulaC17H24ClFN2O
Molecular Weight326.84 g/mol
Exact Mass326.16
IUPAC Name3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide
SMILESCCC(C)(C)CNC1CC(NC(=O)c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C17H24ClFN2O/c1-4-17(2,3)10-20-14-8-15(9-14)21-16(22)11-5-12(18)7-13(19)6-11/h5-7,14-15,20H,4,8-10H2,1-3H3,(H,21,22)
InChIKeyDSEIYFQLKDHIKM-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.84
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide 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-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide
CID 169215317
3-chloro-N-[3-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]cyclobutyl]-5-fluorobenzamide
CID 169215481
N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide
CID 175943327
3-chloro-N-[(1S,3S)-3-[(2-cyclohexyl-2-fluoroethyl)amino]cyclopentyl]-5-fluorobenzamide
CID 169215348
3-chloro-N-ethyl-5-fluorobenzamide
CID 125115811
3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide
CID 169215344
3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide
CID 169215368
1-(3-chloro-5-fluorophenyl)-2,2-dimethylbutan-1-one
CID 24724053
3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide
CID 169215562
3-chloro-5-fluoro-N-[(1R,3S)-3-(1H-indol-2-ylmethylamino)cyclopentyl]benzamide
CID 169215528
2-(3-chloro-5-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethylamino]cyclobutyl]acetamide;3-(difluoromethoxy)-5-fluoro-N-[3-[2-(4-methoxyphenyl)ethylamino]cyclobutyl]benzamide
CID 169215322
N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide
CID 71561313

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide?
The IUPAC name of 3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide (CID 169215470) is 3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide is CCC(C)(C)CNC1CC(NC(=O)c2cc(F)cc(Cl)c2)C1.
What is the InChIKey of 3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide?
The InChIKey is DSEIYFQLKDHIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2O/c1-4-17(2,3)10-20-14-8-15(9-14)21-16(22)11-5-12(18)7-13(19)6-11/h5-7,14-15,20H,4,8-10H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide?
3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide has a molecular weight of 326.84 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide is sourced from PubChem (CID 169215470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).