N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide

C20H23N3O2 — CID 109044347

IUPACN-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-22(2)18-11-9-17(10-12-18)21-19(24)15-5-7-16(8-6-15)20(25)23-13-3-4-14-23/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)
InChIKeyHGOJCFBVTWXABX-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.24
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide

N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide (PubChem CID 109044347) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
PubChem CID109044347
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-22(2)18-11-9-17(10-12-18)21-19(24)15-5-7-16(8-6-15)20(25)23-13-3-4-14-23/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)
InChIKeyHGOJCFBVTWXABX-UHFFFAOYSA-N
XLogP3.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.24
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

1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
3-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 109056729
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109090699
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86988223
N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053606
4-(azepane-1-carbonyl)-N-(4-cyanophenyl)benzamide
CID 109049196

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide (CID 109044347) is N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide is CN(C)c1ccc(NC(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide?
The InChIKey is HGOJCFBVTWXABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22(2)18-11-9-17(10-12-18)21-19(24)15-5-7-16(8-6-15)20(25)23-13-3-4-14-23/h5-12H,3-4,13-14H2,1-2H3,(H,21,24).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide?
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide has a molecular weight of 337.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 109044347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).