N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide

C23H23N3O — CID 112988758

IUPACN-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(N3CCCC3)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H23N3O/c27-23(18-6-2-1-3-7-18)25-21-10-8-19(9-11-21)24-20-12-14-22(15-13-20)26-16-4-5-17-26/h1-3,6-15,24H,4-5,16-17H2,(H,25,27)
InChIKeyVKNKYBCTBGTCML-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.28
Rot. Bonds5

About N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide

N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide (PubChem CID 112988758) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
PubChem CID112988758
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(N3CCCC3)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H23N3O/c27-23(18-6-2-1-3-7-18)25-21-10-8-19(9-11-21)24-20-12-14-22(15-13-20)26-16-4-5-17-26/h1-3,6-15,24H,4-5,16-17H2,(H,25,27)
InChIKeyVKNKYBCTBGTCML-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

Computed Properties (RDKit)

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

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Related Compounds

4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-(4-anilinophenyl)-3-pyrrolidin-1-ylbenzamide
CID 168515887
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
4-phenoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922461
N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide
CID 732498
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide
CID 7582084
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide?
The IUPAC name of N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide (CID 112988758) is N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide.
What is the SMILES notation for N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide?
The canonical SMILES for N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide is O=C(Nc1ccc(Nc2ccc(N3CCCC3)cc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide?
The InChIKey is VKNKYBCTBGTCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c27-23(18-6-2-1-3-7-18)25-21-10-8-19(9-11-21)24-20-12-14-22(15-13-20)26-16-4-5-17-26/h1-3,6-15,24H,4-5,16-17H2,(H,25,27).
What are the key properties of N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide?
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide 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-(4-pyrrolidin-1-ylanilino)phenyl]benzamide is sourced from PubChem (CID 112988758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).