4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide

C21H31ClN2O — CID 67772988

IUPAC4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CN1CCCC1)N(C(=O)c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C21H31ClN2O/c1-16(2)20(15-23-13-5-6-14-23)24(19-7-3-4-8-19)21(25)17-9-11-18(22)12-10-17/h9-12,16,19-20H,3-8,13-15H2,1-2H3/t20-/m1/s1
InChIKeyIZCLSWWADOFPSN-HXUWFJFHSA-N
MW362.95 g/mol
LogP4.85
Rot. Bonds6

About 4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide

4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide (PubChem CID 67772988) has the molecular formula C21H31ClN2O and a molecular weight of 362.95 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide
PubChem CID67772988
Molecular FormulaC21H31ClN2O
Molecular Weight362.95 g/mol
Exact Mass362.21
IUPAC Name4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CN1CCCC1)N(C(=O)c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C21H31ClN2O/c1-16(2)20(15-23-13-5-6-14-23)24(19-7-3-4-8-19)21(25)17-9-11-18(22)12-10-17/h9-12,16,19-20H,3-8,13-15H2,1-2H3/t20-/m1/s1
InChIKeyIZCLSWWADOFPSN-HXUWFJFHSA-N
XLogP4.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.95
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide
CID 67774408
N-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide
CID 67775255
2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773029
4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773337
N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 67774195
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692
N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773094
2-[[4-chloro-3-(4-chlorophenyl)benzoyl]-cyclohexylamino]propanoic acid
CID 70908076
2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpentan-3-one
CID 59670883
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-chlorophenyl)butane-1,4-dione
CID 119436666
N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide
CID 67773483

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide (CID 67772988) is 4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide is CC(C)[C@@H](CN1CCCC1)N(C(=O)c1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of 4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide?
The InChIKey is IZCLSWWADOFPSN-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H31ClN2O/c1-16(2)20(15-23-13-5-6-14-23)24(19-7-3-4-8-19)21(25)17-9-11-18(22)12-10-17/h9-12,16,19-20H,3-8,13-15H2,1-2H3/t20-/m1/s1.
What are the key properties of 4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide?
4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide has a molecular weight of 362.95 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide is sourced from PubChem (CID 67772988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).