5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide

C15H21ClN2O2 — CID 94885064

IUPAC5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCN1CCCC1
InChIInChI=1S/C15H21ClN2O2/c1-20-14-6-5-12(16)11-13(14)15(19)17-7-4-10-18-8-2-3-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19)
InChIKeyIJXUYOFDVSMWFW-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.56
Rot. Bonds6

About 5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide

5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 94885064) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID94885064
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCN1CCCC1
InChIInChI=1S/C15H21ClN2O2/c1-20-14-6-5-12(16)11-13(14)15(19)17-7-4-10-18-8-2-3-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19)
InChIKeyIJXUYOFDVSMWFW-UHFFFAOYSA-N
XLogP2.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42224226
5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide
CID 100529518
2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522639
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 16890087
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide
CID 11213445

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 94885064) is 5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide is COc1ccc(Cl)cc1C(=O)NCCCN1CCCC1.
What is the InChIKey of 5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is IJXUYOFDVSMWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-20-14-6-5-12(16)11-13(14)15(19)17-7-4-10-18-8-2-3-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19).
What are the key properties of 5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide?
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 296.80 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 94885064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).