N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide

C25H26N4O2 — CID 56556326

IUPACN-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)cc2)C1
InChIInChI=1S/C25H26N4O2/c1-18-15-16-29(17-18)23-13-11-21(12-14-23)26-24(30)19-7-9-22(10-8-19)28-25(31)27-20-5-3-2-4-6-20/h2-14,18H,15-17H2,1H3,(H,26,30)(H2,27,28,31)
InChIKeyPBNXVAGKPZPQHP-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.43
Rot. Bonds5

About N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide

N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide (PubChem CID 56556326) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
PubChem CID56556326
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)cc2)C1
InChIInChI=1S/C25H26N4O2/c1-18-15-16-29(17-18)23-13-11-21(12-14-23)26-24(30)19-7-9-22(10-8-19)28-25(31)27-20-5-3-2-4-6-20/h2-14,18H,15-17H2,1H3,(H,26,30)(H2,27,28,31)
InChIKeyPBNXVAGKPZPQHP-UHFFFAOYSA-N
XLogP5.43
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559078
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-propan-2-ylsulfanylbenzamide
CID 56555924
4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867650
2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559405
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 56555972
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[4-[(3S)-3-methylpyrrolidin-1-yl]phenyl]urea
CID 97219987
4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56557769
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[3-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 56556230
N-[3-[4-(3-methylpyrrolidin-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 56559267
4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide
CID 142678923
3-bromo-5-fluoro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556215

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide (CID 56556326) is N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide is CC1CCN(c2ccc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)cc2)C1.
What is the InChIKey of N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide?
The InChIKey is PBNXVAGKPZPQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18-15-16-29(17-18)23-13-11-21(12-14-23)26-24(30)19-7-9-22(10-8-19)28-25(31)27-20-5-3-2-4-6-20/h2-14,18H,15-17H2,1H3,(H,26,30)(H2,27,28,31).
What are the key properties of N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide?
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide has a molecular weight of 414.51 g/mol, XLogP of 5.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 56556326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).