4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide

C21H23ClN2O3 — CID 46536620

IUPAC4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide
SMILESCOc1cccc(C2CCCN2C(=O)CCNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H23ClN2O3/c1-27-18-5-2-4-16(14-18)19-6-3-13-24(19)20(25)11-12-23-21(26)15-7-9-17(22)10-8-15/h2,4-5,7-10,14,19H,3,6,11-13H2,1H3,(H,23,26)
InChIKeyNTEZIJRTMATUCV-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.83
Rot. Bonds6

About 4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide

4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide (PubChem CID 46536620) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide
PubChem CID46536620
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide
SMILESCOc1cccc(C2CCCN2C(=O)CCNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H23ClN2O3/c1-27-18-5-2-4-16(14-18)19-6-3-13-24(19)20(25)11-12-23-21(26)15-7-9-17(22)10-8-15/h2,4-5,7-10,14,19H,3,6,11-13H2,1H3,(H,23,26)
InChIKeyNTEZIJRTMATUCV-UHFFFAOYSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 42932762
4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 51325119
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
4-chloro-N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]benzamide
CID 51318885
3-bromo-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 46536557
3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide
CID 99993065
N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]butanamide
CID 136577876
4-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzoic acid
CID 125120944
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 51982733
2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 64610151
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide (CID 46536620) is 4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide is COc1cccc(C2CCCN2C(=O)CCNC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is NTEZIJRTMATUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-27-18-5-2-4-16(14-18)19-6-3-13-24(19)20(25)11-12-23-21(26)15-7-9-17(22)10-8-15/h2,4-5,7-10,14,19H,3,6,11-13H2,1H3,(H,23,26).
What are the key properties of 4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide?
4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 386.88 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 46536620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).