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

C14H19ClN2O — CID 107098372

IUPAC3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESCc1c(Cl)cccc1C(=O)NCCC1CCCN1
InChIInChI=1S/C14H19ClN2O/c1-10-12(5-2-6-13(10)15)14(18)17-9-7-11-4-3-8-16-11/h2,5-6,11,16H,3-4,7-9H2,1H3,(H,17,18)
InChIKeyQZIBMFRJUJTNGV-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.52
Rot. Bonds4

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

3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide (PubChem CID 107098372) 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-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
PubChem CID107098372
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESCc1c(Cl)cccc1C(=O)NCCC1CCCN1
InChIInChI=1S/C14H19ClN2O/c1-10-12(5-2-6-13(10)15)14(18)17-9-7-11-4-3-8-16-11/h2,5-6,11,16H,3-4,7-9H2,1H3,(H,17,18)
InChIKeyQZIBMFRJUJTNGV-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107098061
3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793555
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107098400
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793714
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
4-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114794001
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104972057

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide (CID 107098372) is 3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide is Cc1c(Cl)cccc1C(=O)NCCC1CCCN1.
What is the InChIKey of 3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
The InChIKey is QZIBMFRJUJTNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-12(5-2-6-13(10)15)14(18)17-9-7-11-4-3-8-16-11/h2,5-6,11,16H,3-4,7-9H2,1H3,(H,17,18).
What are the key properties of 3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide has a molecular weight of 266.77 g/mol, XLogP of 2.52, 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-2-ylethyl)benzamide is sourced from PubChem (CID 107098372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).