2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide

C16H23ClN2O — CID 72810882

IUPAC2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
SMILESCc1cccc(C(=O)N(CC(C)C)C2CCNC2)c1Cl
InChIInChI=1S/C16H23ClN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-6-4-5-12(3)15(14)17/h4-6,11,13,18H,7-10H2,1-3H3
InChIKeyLEYVZUUANVQBPG-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.11
Rot. Bonds4

About 2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide

2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide (PubChem CID 72810882) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
PubChem CID72810882
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
SMILESCc1cccc(C(=O)N(CC(C)C)C2CCNC2)c1Cl
InChIInChI=1S/C16H23ClN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-6-4-5-12(3)15(14)17/h4-6,11,13,18H,7-10H2,1-3H3
InChIKeyLEYVZUUANVQBPG-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-2-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 11427456
2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11336016
2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 11209793
N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806343
(3R)-N-[(2-chloro-3-methylphenyl)methyl]-N-(2-methylpropyl)pyrrolidin-3-amine;2,3-dihydroxybutanedioic acid
CID 69063680
3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide
CID 115930604
N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide
CID 11323940
N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride
CID 69121731
2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 46883498
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
N-ethyl-2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81477812
N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 11426487

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide (CID 72810882) is 2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide is Cc1cccc(C(=O)N(CC(C)C)C2CCNC2)c1Cl.
What is the InChIKey of 2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide?
The InChIKey is LEYVZUUANVQBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-6-4-5-12(3)15(14)17/h4-6,11,13,18H,7-10H2,1-3H3.
What are the key properties of 2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide?
2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide has a molecular weight of 294.83 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 72810882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).