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

C25H24N4O3 — CID 55532549

IUPAC4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C25H24N4O3/c30-23(26-21-14-10-19(11-15-21)24(31)29-16-4-5-17-29)18-8-12-22(13-9-18)28-25(32)27-20-6-2-1-3-7-20/h1-3,6-15H,4-5,16-17H2,(H,26,30)(H2,27,28,32)
InChIKeyJJXFXJSLARIJIC-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.82
Rot. Bonds5

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

4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 55532549) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID55532549
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C25H24N4O3/c30-23(26-21-14-10-19(11-15-21)24(31)29-16-4-5-17-29)18-8-12-22(13-9-18)28-25(32)27-20-6-2-1-3-7-20/h1-3,6-15H,4-5,16-17H2,(H,26,30)(H2,27,28,32)
InChIKeyJJXFXJSLARIJIC-UHFFFAOYSA-N
XLogP4.82
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
4-phenoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532346
N-[4-(1,4-diazepane-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119417229
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202
1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 6467171
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044347
4-(azepane-1-carbonyl)-N-(4-cyanophenyl)benzamide
CID 109049196

Frequently Asked Questions

What is the IUPAC name of 4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 55532549) is 4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is JJXFXJSLARIJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-23(26-21-14-10-19(11-15-21)24(31)29-16-4-5-17-29)18-8-12-22(13-9-18)28-25(32)27-20-6-2-1-3-7-20/h1-3,6-15H,4-5,16-17H2,(H,26,30)(H2,27,28,32).
What are the key properties of 4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 428.49 g/mol, XLogP of 4.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 55532549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).