1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide

C21H16N4O2 — CID 56670017

IUPAC1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide
SMILESNc1cccc(C(=O)n2nc(C(=O)Nc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C21H16N4O2/c22-15-8-6-7-14(13-15)21(27)25-18-12-5-4-11-17(18)19(24-25)20(26)23-16-9-2-1-3-10-16/h1-13H,22H2,(H,23,26)
InChIKeyUGDNEKLTLAVRFN-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.56
Rot. Bonds3

About 1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide

1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide (PubChem CID 56670017) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide
PubChem CID56670017
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide
SMILESNc1cccc(C(=O)n2nc(C(=O)Nc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C21H16N4O2/c22-15-8-6-7-14(13-15)21(27)25-18-12-5-4-11-17(18)19(24-25)20(26)23-16-9-2-1-3-10-16/h1-13H,22H2,(H,23,26)
InChIKeyUGDNEKLTLAVRFN-UHFFFAOYSA-N
XLogP3.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide
CID 56680164
(3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone
CID 91505232
N-methyl-1-(3-methylbenzoyl)indazole-3-carboxamide
CID 175254952
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
ethyl 5-benzamido-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71818834
2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid
CID 19101741
N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide
CID 103116278
1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide
CID 157307504
3-amino-N-(1-methylbenzimidazol-2-yl)benzamide
CID 110474422
2,2,2-trifluoroethyl 1-benzoylindazole-3-carboxylate
CID 53357864
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
3-amino-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 61117464

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide?
The IUPAC name of 1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide (CID 56670017) is 1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide.
What is the SMILES notation for 1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide?
The canonical SMILES for 1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide is Nc1cccc(C(=O)n2nc(C(=O)Nc3ccccc3)c3ccccc32)c1.
What is the InChIKey of 1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide?
The InChIKey is UGDNEKLTLAVRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c22-15-8-6-7-14(13-15)21(27)25-18-12-5-4-11-17(18)19(24-25)20(26)23-16-9-2-1-3-10-16/h1-13H,22H2,(H,23,26).
What are the key properties of 1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide?
1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide is sourced from PubChem (CID 56670017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).