2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride

C20H29Cl2N3O2 — CID 119717898

IUPAC2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
SMILESCN(C(=O)c1ccc(NC(=O)CC2CCCN2)cc1Cl)C1CCCCC1.Cl
InChIInChI=1S/C20H28ClN3O2.ClH/c1-24(16-7-3-2-4-8-16)20(26)17-10-9-15(12-18(17)21)23-19(25)13-14-6-5-11-22-14;/h9-10,12,14,16,22H,2-8,11,13H2,1H3,(H,23,25);1H
InChIKeyPZGAPIYOPCOMST-UHFFFAOYSA-N
MW414.38 g/mol
LogP4.25
Rot. Bonds5

About 2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride

2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride (PubChem CID 119717898) has the molecular formula C20H29Cl2N3O2 and a molecular weight of 414.38 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
PubChem CID119717898
Molecular FormulaC20H29Cl2N3O2
Molecular Weight414.38 g/mol
Exact Mass413.16
IUPAC Name2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
SMILESCN(C(=O)c1ccc(NC(=O)CC2CCCN2)cc1Cl)C1CCCCC1.Cl
InChIInChI=1S/C20H28ClN3O2.ClH/c1-24(16-7-3-2-4-8-16)20(26)17-10-9-15(12-18(17)21)23-19(25)13-14-6-5-11-22-14;/h9-10,12,14,16,22H,2-8,11,13H2,1H3,(H,23,25);1H
InChIKeyPZGAPIYOPCOMST-UHFFFAOYSA-N
XLogP4.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride with MolForge

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Related Compounds

4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119717876
N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide
CID 119286306
N-cyclohexyl-N-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119741232
(2S,4S)-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621694
N-(4-chloro-3-fluorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708349
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
4-[[4-(aminomethyl)benzoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119286321
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119717906
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide
CID 119717907
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719041

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The IUPAC name of 2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride (CID 119717898) is 2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride is CN(C(=O)c1ccc(NC(=O)CC2CCCN2)cc1Cl)C1CCCCC1.Cl.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The InChIKey is PZGAPIYOPCOMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2.ClH/c1-24(16-7-3-2-4-8-16)20(26)17-10-9-15(12-18(17)21)23-19(25)13-14-6-5-11-22-14;/h9-10,12,14,16,22H,2-8,11,13H2,1H3,(H,23,25);1H.
What are the key properties of 2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride has a molecular weight of 414.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 119717898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).