N-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide

C21H23FN2O2 — CID 146120096

IUPACN-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide
SMILESCN(C)C(=O)[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2/c1-24(2)21(26)19-13-17(23-20(25)15-6-4-3-5-7-15)12-18(19)14-8-10-16(22)11-9-14/h3-11,17-19H,12-13H2,1-2H3,(H,23,25)/t17-,18+,19-/m0/s1
InChIKeyKXQFNYOUOHGKFR-OTWHNJEPSA-N
MW354.43 g/mol
LogP3.21
Rot. Bonds4

About N-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide

N-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide (PubChem CID 146120096) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide.

Molecular Properties

Compound NameN-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide
PubChem CID146120096
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide
SMILESCN(C)C(=O)[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2/c1-24(2)21(26)19-13-17(23-20(25)15-6-4-3-5-7-15)12-18(19)14-8-10-16(22)11-9-14/h3-11,17-19H,12-13H2,1-2H3,(H,23,25)/t17-,18+,19-/m0/s1
InChIKeyKXQFNYOUOHGKFR-OTWHNJEPSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,4S)-4-[(2,4-difluorophenyl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 146120120
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]benzohydrazide
CID 51291955
N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
CID 146120407
(1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 146120126
4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide
CID 97060723
4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide
CID 51292326
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 139010906
3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide
CID 146120417
trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide
CID 97061376
N-(3-aminocyclobutyl)benzamide
CID 43594893
2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119202970

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide?
The IUPAC name of N-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide (CID 146120096) is N-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide.
What is the SMILES notation for N-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide?
The canonical SMILES for N-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide is CN(C)C(=O)[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of N-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide?
The InChIKey is KXQFNYOUOHGKFR-OTWHNJEPSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-24(2)21(26)19-13-17(23-20(25)15-6-4-3-5-7-15)12-18(19)14-8-10-16(22)11-9-14/h3-11,17-19H,12-13H2,1-2H3,(H,23,25)/t17-,18+,19-/m0/s1.
What are the key properties of N-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide?
N-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide has a molecular weight of 354.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,4S)-3-(dimethylcarbamoyl)-4-(4-fluorophenyl)cyclopentyl]benzamide is sourced from PubChem (CID 146120096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).