3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide

C13H17ClN2O2 — CID 115271818

IUPAC3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCC2CCNC2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-18-12-3-2-10(6-11(12)14)13(17)16-8-9-4-5-15-7-9/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyQKMKAFSYTQBBLN-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.69
Rot. Bonds4

About 3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide

3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide (PubChem CID 115271818) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
PubChem CID115271818
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCC2CCNC2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-18-12-3-2-10(6-11(12)14)13(17)16-8-9-4-5-15-7-9/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyQKMKAFSYTQBBLN-UHFFFAOYSA-N
XLogP1.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79725483
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271837
4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
CID 81295068
4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 119462339
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
2-(3-chloro-4-methoxyphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208973
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463531
4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119461144

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide (CID 115271818) is 3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide is COc1ccc(C(=O)NCC2CCNC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide?
The InChIKey is QKMKAFSYTQBBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-18-12-3-2-10(6-11(12)14)13(17)16-8-9-4-5-15-7-9/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide?
3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide has a molecular weight of 268.74 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide is sourced from PubChem (CID 115271818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).