1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide

C32H26N4O4 — CID 167363539

IUPAC1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide
SMILESO=C(NO)c1cc(N(c2ccccc2)c2ccccc2)c(C(=O)NO)cc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H26N4O4/c37-31(33-39)27-22-30(36(25-17-9-3-10-18-25)26-19-11-4-12-20-26)28(32(38)34-40)21-29(27)35(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-22,39-40H,(H,33,37)(H,34,38)
InChIKeyRTCBTTHXMHYZPD-UHFFFAOYSA-N
MW530.58 g/mol
LogP6.86
Rot. Bonds8

About 1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide

1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide (PubChem CID 167363539) has the molecular formula C32H26N4O4 and a molecular weight of 530.58 g/mol. Its IUPAC name is 1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide
PubChem CID167363539
Molecular FormulaC32H26N4O4
Molecular Weight530.58 g/mol
Exact Mass530.20
IUPAC Name1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide
SMILESO=C(NO)c1cc(N(c2ccccc2)c2ccccc2)c(C(=O)NO)cc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H26N4O4/c37-31(33-39)27-22-30(36(25-17-9-3-10-18-25)26-19-11-4-12-20-26)28(32(38)34-40)21-29(27)35(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-22,39-40H,(H,33,37)(H,34,38)
InChIKeyRTCBTTHXMHYZPD-UHFFFAOYSA-N
XLogP6.86
TPSA105.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 56.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide 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

dimethyl 2,5-bis(N-phenylanilino)benzene-1,4-dicarboxylate
CID 18332104
dimethyl 4,5-bis(N-phenylanilino)benzene-1,2-dicarboxylate
CID 102133313
azane;N,N-diphenylaniline;methane
CID 174725062
methyl 4-(methylperoxymethyl)-2,5-bis(N-phenylanilino)benzoate
CID 20710151
1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide
CID 167363578
methyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate
CID 175071679
N-hydroxybenzamide;nickel
CID 88846751
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide
CID 59793191
N-hydroxy-2-(2-phenylphenyl)benzamide
CID 58121046
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 170040263

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide (CID 167363539) is 1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide is O=C(NO)c1cc(N(c2ccccc2)c2ccccc2)c(C(=O)NO)cc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide?
The InChIKey is RTCBTTHXMHYZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O4/c37-31(33-39)27-22-30(36(25-17-9-3-10-18-25)26-19-11-4-12-20-26)28(32(38)34-40)21-29(27)35(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-22,39-40H,(H,33,37)(H,34,38).
What are the key properties of 1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide?
1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide has a molecular weight of 530.58 g/mol, XLogP of 6.86, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide is sourced from PubChem (CID 167363539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).