N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide

C22H21N3O2 — CID 11394274

IUPACN-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C22H21N3O2/c23-19-8-4-5-9-20(19)25-22(27)17-11-13-18(14-12-17)24-21(26)15-10-16-6-2-1-3-7-16/h1-9,11-14H,10,15,23H2,(H,24,26)(H,25,27)
InChIKeyCHPVAFOOELKNGC-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.09
Rot. Bonds6

About N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide

N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide (PubChem CID 11394274) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide
PubChem CID11394274
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C22H21N3O2/c23-19-8-4-5-9-20(19)25-22(27)17-11-13-18(14-12-17)24-21(26)15-10-16-6-2-1-3-7-16/h1-9,11-14H,10,15,23H2,(H,24,26)(H,25,27)
InChIKeyCHPVAFOOELKNGC-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
CID 22668144
acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide
CID 172856727
N-(2-ethoxyphenyl)-4-(3-phenylpropanoylamino)benzamide
CID 1237348
4-(3-phenylpropanoylamino)benzamide
CID 675903
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
4-[4-[4-[2-(aminomethyl)cyclopropyl]anilino]-4-oxobutyl]-N-(2-aminophenyl)benzamide
CID 159868065
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide (CID 11394274) is N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide is Nc1ccccc1NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide?
The InChIKey is CHPVAFOOELKNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c23-19-8-4-5-9-20(19)25-22(27)17-11-13-18(14-12-17)24-21(26)15-10-16-6-2-1-3-7-16/h1-9,11-14H,10,15,23H2,(H,24,26)(H,25,27).
What are the key properties of N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide?
N-(2-aminophenyl)-4-(3-phenylpropanoylamino)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-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide is sourced from PubChem (CID 11394274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).