4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide

C28H29N3O2 — CID 1059310

IUPAC4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(C(=O)N2CCCC2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H29N3O2/c32-27(23-12-10-22(11-13-23)21-8-2-1-3-9-21)29-24-14-15-26(30-16-4-5-17-30)25(20-24)28(33)31-18-6-7-19-31/h1-3,8-15,20H,4-7,16-19H2,(H,29,32)
InChIKeyYHAGJZKNKNEXCC-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.44
Rot. Bonds5

About 4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide

4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide (PubChem CID 1059310) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
PubChem CID1059310
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC Name4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(C(=O)N2CCCC2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H29N3O2/c32-27(23-12-10-22(11-13-23)21-8-2-1-3-9-21)29-24-14-15-26(30-16-4-5-17-30)25(20-24)28(33)31-18-6-7-19-31/h1-3,8-15,20H,4-7,16-19H2,(H,29,32)
InChIKeyYHAGJZKNKNEXCC-UHFFFAOYSA-N
XLogP5.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.44
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

4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1054983
N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide
CID 1066165
N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3443587
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1063788
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide
CID 3877371
N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3374189
3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1055003
4-[4-benzamido-2-(piperidine-1-carbonyl)phenyl]-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 42678938
2-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1055001
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-4-methylbenzamide
CID 1054098
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066436
N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42756099

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide?
The IUPAC name of 4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide (CID 1059310) is 4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide?
The canonical SMILES for 4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide is O=C(Nc1ccc(N2CCCC2)c(C(=O)N2CCCC2)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide?
The InChIKey is YHAGJZKNKNEXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c32-27(23-12-10-22(11-13-23)21-8-2-1-3-9-21)29-24-14-15-26(30-16-4-5-17-30)25(20-24)28(33)31-18-6-7-19-31/h1-3,8-15,20H,4-7,16-19H2,(H,29,32).
What are the key properties of 4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide?
4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide has a molecular weight of 439.56 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide is sourced from PubChem (CID 1059310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).