4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide

C14H19ClN2O2 — CID 63630238

IUPAC4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCCC1CCNC1
InChIInChI=1S/C14H19ClN2O2/c1-19-13-8-11(15)2-3-12(13)14(18)17-7-5-10-4-6-16-9-10/h2-3,8,10,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyDFPCVOZRXHAGIQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.08
Rot. Bonds5

About 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide

4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 63630238) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID63630238
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCCC1CCNC1
InChIInChI=1S/C14H19ClN2O2/c1-19-13-8-11(15)2-3-12(13)14(18)17-7-5-10-4-6-16-9-10/h2-3,8,10,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyDFPCVOZRXHAGIQ-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119533390
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854
4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56716852
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537862
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63624523
4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630406
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555478

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 63630238) is 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide is COc1cc(Cl)ccc1C(=O)NCCC1CCNC1.
What is the InChIKey of 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is DFPCVOZRXHAGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-19-13-8-11(15)2-3-12(13)14(18)17-7-5-10-4-6-16-9-10/h2-3,8,10,16H,4-7,9H2,1H3,(H,17,18).
What are the key properties of 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 282.77 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 63630238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).