N-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide

C32H26N4O2 — CID 154145322

IUPACN-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide
SMILESNc1cccc(N(C(=O)c2ccccc2)c2cccc(N(C(=O)c3ccccc3)c3cccc(N)c3)c2)c1
InChIInChI=1S/C32H26N4O2/c33-25-14-7-16-27(20-25)35(31(37)23-10-3-1-4-11-23)29-18-9-19-30(22-29)36(28-17-8-15-26(34)21-28)32(38)24-12-5-2-6-13-24/h1-22H,33-34H2
InChIKeyATTYINABWVOJNL-UHFFFAOYSA-N
MW498.59 g/mol
LogP6.81
Rot. Bonds6

About N-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide

N-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide (PubChem CID 154145322) has the molecular formula C32H26N4O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is N-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide.

Molecular Properties

Compound NameN-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide
PubChem CID154145322
Molecular FormulaC32H26N4O2
Molecular Weight498.59 g/mol
Exact Mass498.21
IUPAC NameN-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide
SMILESNc1cccc(N(C(=O)c2ccccc2)c2cccc(N(C(=O)c3ccccc3)c3cccc(N)c3)c2)c1
InChIInChI=1S/C32H26N4O2/c33-25-14-7-16-27(20-25)35(31(37)23-10-3-1-4-11-23)29-18-9-19-30(22-29)36(28-17-8-15-26(34)21-28)32(38)24-12-5-2-6-13-24/h1-22H,33-34H2
InChIKeyATTYINABWVOJNL-UHFFFAOYSA-N
XLogP6.81
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
1-(3-aminophenyl)-2-phenylethane-1,2-dione
CID 18944432
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
(3-aminophenyl)-phenylmethanone
CID 17817
3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide
CID 154094255
N-(3-aminophenyl)-N,4-dimethylbenzamide
CID 61296197
N-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide
CID 148940294
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
3-[(E)-2-(3-aminophenyl)-1,2-diphenylethenyl]aniline
CID 101105697
3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline
CID 10428749
4-(N-benzoylanilino)-N,N-diphenylbenzamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide;1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-tricarboxamide;1-N,1-N,2-N,2-N-tetraphenylbenzene-1,2-dicarboxamide;1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-dicarboxamide
CID 162010773
3-aminobenzoic acid;azane
CID 159954068

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide?
The IUPAC name of N-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide (CID 154145322) is N-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide.
What is the SMILES notation for N-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide?
The canonical SMILES for N-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide is Nc1cccc(N(C(=O)c2ccccc2)c2cccc(N(C(=O)c3ccccc3)c3cccc(N)c3)c2)c1.
What is the InChIKey of N-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide?
The InChIKey is ATTYINABWVOJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O2/c33-25-14-7-16-27(20-25)35(31(37)23-10-3-1-4-11-23)29-18-9-19-30(22-29)36(28-17-8-15-26(34)21-28)32(38)24-12-5-2-6-13-24/h1-22H,33-34H2.
What are the key properties of N-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide?
N-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide has a molecular weight of 498.59 g/mol, XLogP of 6.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide is sourced from PubChem (CID 154145322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).