N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide

C23H23N3O — CID 168515887

IUPACN-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C23H23N3O/c27-23(18-7-6-10-22(17-18)26-15-4-5-16-26)25-21-13-11-20(12-14-21)24-19-8-2-1-3-9-19/h1-3,6-14,17,24H,4-5,15-16H2,(H,25,27)
InChIKeyQBHLSXURRRMKHR-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.28
Rot. Bonds5

About N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide

N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide (PubChem CID 168515887) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide
PubChem CID168515887
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C23H23N3O/c27-23(18-7-6-10-22(17-18)26-15-4-5-16-26)25-21-13-11-20(12-14-21)24-19-8-2-1-3-9-19/h1-3,6-14,17,24H,4-5,15-16H2,(H,25,27)
InChIKeyQBHLSXURRRMKHR-UHFFFAOYSA-N
XLogP5.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-phenyl-4-piperidin-1-ylbenzamide
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CID 7999170
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CID 109052099
3-cyano-N-(3-piperidin-1-ylphenyl)benzamide
CID 110362112
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
3-N-tert-butyl-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
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CID 109056054

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide (CID 168515887) is N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide is O=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc(N2CCCC2)c1.
What is the InChIKey of N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide?
The InChIKey is QBHLSXURRRMKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c27-23(18-7-6-10-22(17-18)26-15-4-5-16-26)25-21-13-11-20(12-14-21)24-19-8-2-1-3-9-19/h1-3,6-14,17,24H,4-5,15-16H2,(H,25,27).
What are the key properties of N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide?
N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide has a molecular weight of 357.46 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 168515887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).