3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide

C34H28N6O4 — CID 123571630

IUPAC3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide
SMILESNN(C(=O)c1cccc(C(=O)Nc2cccc(N(N)C(=O)c3cccc(C(=O)Nc4ccccc4)c3)c2)c1)c1ccccc1
InChIInChI=1S/C34H28N6O4/c35-39(29-17-5-2-6-18-29)33(43)25-12-8-11-24(21-25)32(42)38-28-16-9-19-30(22-28)40(36)34(44)26-13-7-10-23(20-26)31(41)37-27-14-3-1-4-15-27/h1-22H,35-36H2,(H,37,41)(H,38,42)
InChIKeyCLUYWOKOYRBIMV-UHFFFAOYSA-N
MW584.64 g/mol
LogP5.23
Rot. Bonds8

About 3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide

3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide (PubChem CID 123571630) has the molecular formula C34H28N6O4 and a molecular weight of 584.64 g/mol. Its IUPAC name is 3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide
PubChem CID123571630
Molecular FormulaC34H28N6O4
Molecular Weight584.64 g/mol
Exact Mass584.22
IUPAC Name3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide
SMILESNN(C(=O)c1cccc(C(=O)Nc2cccc(N(N)C(=O)c3cccc(C(=O)Nc4ccccc4)c3)c2)c1)c1ccccc1
InChIInChI=1S/C34H28N6O4/c35-39(29-17-5-2-6-18-29)33(43)25-12-8-11-24(21-25)32(42)38-28-16-9-19-30(22-28)40(36)34(44)26-13-7-10-23(20-26)31(41)37-27-14-3-1-4-15-27/h1-22H,35-36H2,(H,37,41)(H,38,42)
InChIKeyCLUYWOKOYRBIMV-UHFFFAOYSA-N
XLogP5.23
TPSA150.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.64
LogP ≤ 55.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide 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

3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
3-[amino(phenyl)carbamoyl]-5-[anilino(hydroxy)methyl]-N-phenylbenzamide
CID 123994342
3-[bis(2-hydroxyethyl)amino]-N-phenylbenzamide
CID 54334365
3-N-phenylbenzene-1,3-dicarboxamide;2,2,2-trifluoroacetic acid
CID 122516877
3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide
CID 78776448
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-phenyl-3-(2-phenylacetyl)benzamide
CID 162068879
1-N,3-N-bis[3-(methylamino)phenyl]benzene-1,3-dicarboxamide;1-N,4-N-bis[4-(methylamino)phenyl]benzene-1,4-dicarboxamide
CID 158849064
methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17227914
3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide
CID 112986095
molecular hydrogen;N-phenylbenzamide
CID 145238042
3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840259

Frequently Asked Questions

What is the IUPAC name of 3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide?
The IUPAC name of 3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide (CID 123571630) is 3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide?
The canonical SMILES for 3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide is NN(C(=O)c1cccc(C(=O)Nc2cccc(N(N)C(=O)c3cccc(C(=O)Nc4ccccc4)c3)c2)c1)c1ccccc1.
What is the InChIKey of 3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide?
The InChIKey is CLUYWOKOYRBIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N6O4/c35-39(29-17-5-2-6-18-29)33(43)25-12-8-11-24(21-25)32(42)38-28-16-9-19-30(22-28)40(36)34(44)26-13-7-10-23(20-26)31(41)37-27-14-3-1-4-15-27/h1-22H,35-36H2,(H,37,41)(H,38,42).
What are the key properties of 3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide?
3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide has a molecular weight of 584.64 g/mol, XLogP of 5.23, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide is sourced from PubChem (CID 123571630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).