2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide

C15H21ClN2O — CID 126724124

IUPAC2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide
SMILESCc1cccc(Cl)c1C(=O)NCCN1CC[C@@H](C)C1
InChIInChI=1S/C15H21ClN2O/c1-11-6-8-18(10-11)9-7-17-15(19)14-12(2)4-3-5-13(14)16/h3-5,11H,6-10H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyHWGBZKGWXIDBEH-LLVKDONJSA-N
MW280.80 g/mol
LogP2.72
Rot. Bonds4

About 2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide

2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide (PubChem CID 126724124) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide
PubChem CID126724124
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide
SMILESCc1cccc(Cl)c1C(=O)NCCN1CC[C@@H](C)C1
InChIInChI=1S/C15H21ClN2O/c1-11-6-8-18(10-11)9-7-17-15(19)14-12(2)4-3-5-13(14)16/h3-5,11H,6-10H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyHWGBZKGWXIDBEH-LLVKDONJSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
1-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-6-oxopyridine-2-carboxamide
CID 97244814
3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 47035917
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 91841478
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 81393736
4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241420
5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide
CID 94115510
2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 118774564
3-chloro-N-[3-[5-(2-chloro-6-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-4-methylbenzamide
CID 69146888
2,6-dichloro-N-(1-propylpiperidin-4-yl)benzamide
CID 17249839

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide (CID 126724124) is 2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide is Cc1cccc(Cl)c1C(=O)NCCN1CC[C@@H](C)C1.
What is the InChIKey of 2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide?
The InChIKey is HWGBZKGWXIDBEH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-6-8-18(10-11)9-7-17-15(19)14-12(2)4-3-5-13(14)16/h3-5,11H,6-10H2,1-2H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide?
2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide has a molecular weight of 280.80 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 126724124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).