4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide

C23H17N3O3 — CID 134087977

IUPAC4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide
SMILESO=C(Nc1ccccc1)C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C23H17N3O3/c27-21(25-17-12-6-2-7-13-17)19-20(24-16-10-4-1-5-11-16)23(29)26(22(19)28)18-14-8-3-9-15-18/h1-15,24H,(H,25,27)
InChIKeyYXWKZWOYXCOTMO-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.56
Rot. Bonds5

About 4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide

4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide (PubChem CID 134087977) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide
PubChem CID134087977
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide
SMILESO=C(Nc1ccccc1)C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C23H17N3O3/c27-21(25-17-12-6-2-7-13-17)19-20(24-16-10-4-1-5-11-16)23(29)26(22(19)28)18-14-8-3-9-15-18/h1-15,24H,(H,25,27)
InChIKeyYXWKZWOYXCOTMO-UHFFFAOYSA-N
XLogP3.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(4-methylanilino)-2,5-dioxo-1-phenylpyrrol-3-yl]sulfanylphenyl]benzamide
CID 83277872
N-[4-(4-anilino-2,5-dioxo-1-phenylpyrrol-3-yl)sulfanylphenyl]-4-methoxybenzamide
CID 83275041
N-[4-[4-(4-bromoanilino)-2,5-dioxo-1-phenylpyrrol-3-yl]sulfanylphenyl]-4-fluorobenzamide
CID 83278984
N-[3-(4-anilino-2,5-dioxo-1-phenylpyrrol-3-yl)sulfanylphenyl]-4-methoxybenzamide
CID 83275014
4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
N-[4-[4-(2,3-dimethylanilino)-2,5-dioxo-1-phenylpyrrol-3-yl]phenyl]acetamide
CID 110596732
N-[4-[4-(3,4-dimethylanilino)-2,5-dioxo-1-phenylpyrrol-3-yl]phenyl]acetamide
CID 110596727
N-[4-[2,5-dioxo-1-phenyl-4-[3-(trifluoromethyl)anilino]pyrrol-3-yl]phenyl]acetamide
CID 110596724
N-[4-[4-(2,5-dimethylanilino)-2,5-dioxo-1-phenylpyrrol-3-yl]phenyl]acetamide
CID 110596731
N-[4-[2,5-dioxo-1-phenyl-4-(4-propan-2-ylanilino)pyrrol-3-yl]sulfanylphenyl]furan-2-carboxamide
CID 83273103
N-[4-[1-(4-fluorophenyl)-4-(4-methylanilino)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]benzamide
CID 83277870
4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11727816

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide?
The IUPAC name of 4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide (CID 134087977) is 4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide.
What is the SMILES notation for 4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide?
The canonical SMILES for 4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide is O=C(Nc1ccccc1)C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide?
The InChIKey is YXWKZWOYXCOTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-21(25-17-12-6-2-7-13-17)19-20(24-16-10-4-1-5-11-16)23(29)26(22(19)28)18-14-8-3-9-15-18/h1-15,24H,(H,25,27).
What are the key properties of 4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide?
4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2,5-dioxo-N,1-diphenylpyrrole-3-carboxamide is sourced from PubChem (CID 134087977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).