3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide

C20H25N3O — CID 42157817

IUPAC3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C20H25N3O/c1-15-13-18(23-11-4-5-12-23)9-10-19(15)21-20(24)16-7-6-8-17(14-16)22(2)3/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,21,24)
InChIKeyXRGGHOXWXLLUCW-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.91
Rot. Bonds4

About 3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide

3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 42157817) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID42157817
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C20H25N3O/c1-15-13-18(23-11-4-5-12-23)9-10-19(15)21-20(24)16-7-6-8-17(14-16)22(2)3/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,21,24)
InChIKeyXRGGHOXWXLLUCW-UHFFFAOYSA-N
XLogP3.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-N-(2,4-dimethylphenyl)benzamide
CID 2081678
3-(dimethylamino)-N-(2,4-dimorpholin-4-ylphenyl)benzamide
CID 26072175
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 42157747
N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46563897
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42039924
4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 36565155
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
N-(2,4-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 21173697
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 36565346
2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 42038603
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18127986

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide (CID 42157817) is 3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide is Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is XRGGHOXWXLLUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-13-18(23-11-4-5-12-23)9-10-19(15)21-20(24)16-7-6-8-17(14-16)22(2)3/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,21,24).
What are the key properties of 3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide?
3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 323.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 42157817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).