2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide

C13H17ClN2O — CID 91841478

IUPAC2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
SMILESCc1cccc(Cl)c1C(=O)NC[C@@H]1CCCN1
InChIInChI=1S/C13H17ClN2O/c1-9-4-2-6-11(14)12(9)13(17)16-8-10-5-3-7-15-10/h2,4,6,10,15H,3,5,7-8H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyNYZSZKYXNCCLPN-JTQLQIEISA-N
MW252.74 g/mol
LogP2.13
Rot. Bonds3

About 2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide

2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide (PubChem CID 91841478) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
PubChem CID91841478
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
SMILESCc1cccc(Cl)c1C(=O)NC[C@@H]1CCCN1
InChIInChI=1S/C13H17ClN2O/c1-9-4-2-6-11(14)12(9)13(17)16-8-10-5-3-7-15-10/h2,4,6,10,15H,3,5,7-8H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyNYZSZKYXNCCLPN-JTQLQIEISA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514188
3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107098061
2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260437
2,6-dichloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]benzamide
CID 154844464
3-methyl-2-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62540214
2,6-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611526
2-(2,6-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514519
3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 107098372
3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62539853
4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride
CID 119513544
4-methyl-3-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514288
3-chloro-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806363

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide (CID 91841478) is 2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide is Cc1cccc(Cl)c1C(=O)NC[C@@H]1CCCN1.
What is the InChIKey of 2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide?
The InChIKey is NYZSZKYXNCCLPN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-4-2-6-11(14)12(9)13(17)16-8-10-5-3-7-15-10/h2,4,6,10,15H,3,5,7-8H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide?
2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide has a molecular weight of 252.74 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 91841478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).