4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide

C28H21N3O4 — CID 144544171

IUPAC4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
SMILESO=Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C28H21N3O4/c32-18-19-6-8-20(9-7-19)26(33)30-24-14-16-25(17-15-24)31-28(35)22-12-10-21(11-13-22)27(34)29-23-4-2-1-3-5-23/h1-18H,(H,29,34)(H,30,33)(H,31,35)
InChIKeyNZJDRSUTHCCCFM-UHFFFAOYSA-N
MW463.49 g/mol
LogP5.26
Rot. Bonds7

About 4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide

4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide (PubChem CID 144544171) has the molecular formula C28H21N3O4 and a molecular weight of 463.49 g/mol. Its IUPAC name is 4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
PubChem CID144544171
Molecular FormulaC28H21N3O4
Molecular Weight463.49 g/mol
Exact Mass463.15
IUPAC Name4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
SMILESO=Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C28H21N3O4/c32-18-19-6-8-20(9-7-19)26(33)30-24-14-16-25(17-15-24)31-28(35)22-12-10-21(11-13-22)27(34)29-23-4-2-1-3-5-23/h1-18H,(H,29,34)(H,30,33)(H,31,35)
InChIKeyNZJDRSUTHCCCFM-UHFFFAOYSA-N
XLogP5.26
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-(3-aminophenyl)-4-formylbenzamide
CID 57292924
3-[(4-formylphenyl)carbamoyl]benzoic acid;methanol
CID 143557011
molecular hydrogen;N-phenylbenzamide
CID 145238042
4-[(3-formylbenzoyl)amino]benzoic acid
CID 90105755
4-(phenylcarbamoyl)benzoate
CID 158012761
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine
CID 87691755
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
(4-benzamidophenyl)carbamic acid
CID 18543096
4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide
CID 177476151

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide (CID 144544171) is 4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide is O=Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide?
The InChIKey is NZJDRSUTHCCCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O4/c32-18-19-6-8-20(9-7-19)26(33)30-24-14-16-25(17-15-24)31-28(35)22-12-10-21(11-13-22)27(34)29-23-4-2-1-3-5-23/h1-18H,(H,29,34)(H,30,33)(H,31,35).
What are the key properties of 4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide?
4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide has a molecular weight of 463.49 g/mol, XLogP of 5.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 144544171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).