1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide

C22H17N3O2 — CID 174703366

IUPAC1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide
SMILESNC(=O)c1ccc2c(ccn2-c2ccc(C(=O)c3ccc(N)cc3)cc2)c1
InChIInChI=1S/C22H17N3O2/c23-18-6-1-14(2-7-18)21(26)15-3-8-19(9-4-15)25-12-11-16-13-17(22(24)27)5-10-20(16)25/h1-13H,23H2,(H2,24,27)
InChIKeyQQJRVEXRAANDRV-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.54
Rot. Bonds4

About 1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide

1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide (PubChem CID 174703366) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide.

Molecular Properties

Compound Name1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide
PubChem CID174703366
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide
SMILESNC(=O)c1ccc2c(ccn2-c2ccc(C(=O)c3ccc(N)cc3)cc2)c1
InChIInChI=1S/C22H17N3O2/c23-18-6-1-14(2-7-18)21(26)15-3-8-19(9-4-15)25-12-11-16-13-17(22(24)27)5-10-20(16)25/h1-13H,23H2,(H2,24,27)
InChIKeyQQJRVEXRAANDRV-UHFFFAOYSA-N
XLogP3.54
TPSA91.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide?
The IUPAC name of 1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide (CID 174703366) is 1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide.
What is the SMILES notation for 1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide?
The canonical SMILES for 1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide is NC(=O)c1ccc2c(ccn2-c2ccc(C(=O)c3ccc(N)cc3)cc2)c1.
What is the InChIKey of 1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide?
The InChIKey is QQJRVEXRAANDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c23-18-6-1-14(2-7-18)21(26)15-3-8-19(9-4-15)25-12-11-16-13-17(22(24)27)5-10-20(16)25/h1-13H,23H2,(H2,24,27).
What are the key properties of 1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide?
1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide is sourced from PubChem (CID 174703366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).