4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide

C21H23ClN2O2 — CID 51318885

IUPAC4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide
SMILESO=C(NCCCC(=O)N1CCCC1c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c22-18-12-10-17(11-13-18)21(26)23-14-4-9-20(25)24-15-5-8-19(24)16-6-2-1-3-7-16/h1-3,6-7,10-13,19H,4-5,8-9,14-15H2,(H,23,26)
InChIKeyYBVDANLUMSHDSS-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.21
Rot. Bonds6

About 4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide

4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide (PubChem CID 51318885) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide
PubChem CID51318885
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide
SMILESO=C(NCCCC(=O)N1CCCC1c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c22-18-12-10-17(11-13-18)21(26)23-14-4-9-20(25)24-15-5-8-19(24)16-6-2-1-3-7-16/h1-3,6-7,10-13,19H,4-5,8-9,14-15H2,(H,23,26)
InChIKeyYBVDANLUMSHDSS-UHFFFAOYSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide
CID 39582079
4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide
CID 46536620
N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide
CID 51318960
6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 43579532
5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 79199360
N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide
CID 26178024
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741
7-amino-1-(2-phenylazepan-1-yl)heptan-1-one
CID 119737777
(2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide
CID 51071313
N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide
CID 95592208
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-4-chlorobenzamide;hydrochloride
CID 119411425
3,5-dimethyl-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264652

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide?
The IUPAC name of 4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide (CID 51318885) is 4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide is O=C(NCCCC(=O)N1CCCC1c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide?
The InChIKey is YBVDANLUMSHDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-18-12-10-17(11-13-18)21(26)23-14-4-9-20(25)24-15-5-8-19(24)16-6-2-1-3-7-16/h1-3,6-7,10-13,19H,4-5,8-9,14-15H2,(H,23,26).
What are the key properties of 4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide?
4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide has a molecular weight of 370.88 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide is sourced from PubChem (CID 51318885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).