N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide

C19H22N2O — CID 110295113

IUPACN-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
SMILESCc1cccc(CNC(=O)c2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C19H22N2O/c1-15-5-4-6-16(13-15)14-20-19(22)17-7-9-18(10-8-17)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22)
InChIKeyLBEYGCLWZAGGQP-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.53
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide

N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 110295113) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID110295113
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
SMILESCc1cccc(CNC(=O)c2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C19H22N2O/c1-15-5-4-6-16(13-15)14-20-19(22)17-7-9-18(10-8-17)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22)
InChIKeyLBEYGCLWZAGGQP-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232264
N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226461
1-[(3-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108988759
4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 42858721
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
N-[(3-methylphenyl)methyl]-2-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109304416
4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 67373018
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 42858799
4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046875
N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
CID 39380681
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide (CID 110295113) is N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide is Cc1cccc(CNC(=O)c2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is LBEYGCLWZAGGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15-5-4-6-16(13-15)14-20-19(22)17-7-9-18(10-8-17)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22).
What are the key properties of N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide?
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 294.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 110295113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).