N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide

C18H21N3O — CID 22291087

IUPACN-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(N3CCCC3)c2)cc1N
InChIInChI=1S/C18H21N3O/c1-13-7-8-15(12-17(13)19)20-18(22)14-5-4-6-16(11-14)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10,19H2,1H3,(H,20,22)
InChIKeyHTLUVVYFJKHBQN-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.43
Rot. Bonds3

About N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide

N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide (PubChem CID 22291087) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide
PubChem CID22291087
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(N3CCCC3)c2)cc1N
InChIInChI=1S/C18H21N3O/c1-13-7-8-15(12-17(13)19)20-18(22)14-5-4-6-16(11-14)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10,19H2,1H3,(H,20,22)
InChIKeyHTLUVVYFJKHBQN-UHFFFAOYSA-N
XLogP3.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338
N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide
CID 168515887
N-(3-amino-4-methylphenyl)-3-cyanobenzamide
CID 24707349
N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 167747025
N-(3-amino-4-methylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 28867146
3-cyano-N-(3-piperidin-1-ylphenyl)benzamide
CID 110362112
N-(3-chloro-4-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225803
1-N,3-N-bis(3-amino-4-methylphenyl)-5-hydroxybenzene-1,3-dicarboxamide
CID 139753115
3-N-tert-butyl-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056053
N-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide
CID 11501041
N-[4-methyl-3-[2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-pyrrolidin-1-ylbenzamide
CID 71183755
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide (CID 22291087) is N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide is Cc1ccc(NC(=O)c2cccc(N3CCCC3)c2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide?
The InChIKey is HTLUVVYFJKHBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-7-8-15(12-17(13)19)20-18(22)14-5-4-6-16(11-14)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10,19H2,1H3,(H,20,22).
What are the key properties of N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide?
N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide has a molecular weight of 295.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 22291087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).