3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide

C14H19ClN2O — CID 107098145

IUPAC3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1c(Cl)cccc1C(=O)NCCC1CCNC1
InChIInChI=1S/C14H19ClN2O/c1-10-12(3-2-4-13(10)15)14(18)17-8-6-11-5-7-16-9-11/h2-4,11,16H,5-9H2,1H3,(H,17,18)
InChIKeyNSOXPCQUWPXXJI-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.38
Rot. Bonds4

About 3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide

3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 107098145) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID107098145
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1c(Cl)cccc1C(=O)NCCC1CCNC1
InChIInChI=1S/C14H19ClN2O/c1-10-12(3-2-4-13(10)15)14(18)17-8-6-11-5-7-16-9-11/h2-4,11,16H,5-9H2,1H3,(H,17,18)
InChIKeyNSOXPCQUWPXXJI-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536338
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107098265
3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 107098372
2-(2-chloro-6-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63623426
2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535242
2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
CID 119537626
4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630406
2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119537084
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536475
2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537624
2-chloro-4,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536489

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 107098145) is 3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide is Cc1c(Cl)cccc1C(=O)NCCC1CCNC1.
What is the InChIKey of 3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is NSOXPCQUWPXXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-12(3-2-4-13(10)15)14(18)17-8-6-11-5-7-16-9-11/h2-4,11,16H,5-9H2,1H3,(H,17,18).
What are the key properties of 3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 266.77 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 107098145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).