N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide

C22H21N3O2 — CID 54795411

IUPACN-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide
SMILESNc1ccc(CCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C22H21N3O2/c23-18-12-9-16(10-13-18)11-14-21(26)24-19-7-4-8-20(15-19)25-22(27)17-5-2-1-3-6-17/h1-10,12-13,15H,11,14,23H2,(H,24,26)(H,25,27)
InChIKeyGNDYVWVCDHJLSO-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.09
Rot. Bonds6

About N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide

N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide (PubChem CID 54795411) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide
PubChem CID54795411
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide
SMILESNc1ccc(CCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C22H21N3O2/c23-18-12-9-16(10-13-18)11-14-21(26)24-19-7-4-8-20(15-19)25-22(27)17-5-2-1-3-6-17/h1-10,12-13,15H,11,14,23H2,(H,24,26)(H,25,27)
InChIKeyGNDYVWVCDHJLSO-UHFFFAOYSA-N
XLogP4.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
CID 17222895
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372
4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54795283
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
CID 54795361
3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide
CID 54795311
3-[3-(4-aminophenyl)propanoylamino]-N-butylbenzamide
CID 54795409
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795599
N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide
CID 17222980
3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide
CID 115375741
4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
CID 92681733

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide?
The IUPAC name of N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide (CID 54795411) is N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide?
The canonical SMILES for N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide is Nc1ccc(CCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide?
The InChIKey is GNDYVWVCDHJLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c23-18-12-9-16(10-13-18)11-14-21(26)24-19-7-4-8-20(15-19)25-22(27)17-5-2-1-3-6-17/h1-10,12-13,15H,11,14,23H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide?
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 54795411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).