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

C21H26ClN3O2 — CID 119679398

IUPACN-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CC2CCCN2)cc1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-15-8-10-16(11-9-15)14-23-21(26)18-6-2-3-7-19(18)24-20(25)13-17-5-4-12-22-17;/h2-3,6-11,17,22H,4-5,12-14H2,1H3,(H,23,26)(H,24,25);1H
InChIKeyDILNXFZGGZGHLU-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.43
Rot. Bonds6

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

N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride (PubChem CID 119679398) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
PubChem CID119679398
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CC2CCCN2)cc1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-15-8-10-16(11-9-15)14-23-21(26)18-6-2-3-7-19(18)24-20(25)13-17-5-4-12-22-17;/h2-3,6-11,17,22H,4-5,12-14H2,1H3,(H,23,26)(H,24,25);1H
InChIKeyDILNXFZGGZGHLU-UHFFFAOYSA-N
XLogP3.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119679399
N-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119693731
N,5-dimethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119800275
N-[2-(4-methylphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119680419
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679402
N-cyclohexyl-N-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119741232
N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 55362722
N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 56542148
N-(2-bromophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371785
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
N-(2-methyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119844533

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride (CID 119679398) is N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride is Cc1ccc(CNC(=O)c2ccccc2NC(=O)CC2CCCN2)cc1.Cl.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The InChIKey is DILNXFZGGZGHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-15-8-10-16(11-9-15)14-23-21(26)18-6-2-3-7-19(18)24-20(25)13-17-5-4-12-22-17;/h2-3,6-11,17,22H,4-5,12-14H2,1H3,(H,23,26)(H,24,25);1H.
What are the key properties of N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 119679398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).