2-(4-bromobenzoyl)-N-(1-methylindazol-3-yl)benzamide

C22H16BrN3O2 — CID 166366018

IUPAC2-(4-bromobenzoyl)-N-(1-methylindazol-3-yl)benzamide
SMILESCn1nc(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C22H16BrN3O2/c1-26-19-9-5-4-8-18(19)21(25-26)24-22(28)17-7-3-2-6-16(17)20(27)14-10-12-15(23)13-11-14/h2-13H,1H3,(H,24,25,28)
InChIKeyXYQRMYCXMPTCEH-UHFFFAOYSA-N
MW434.29 g/mol
LogP4.82
Rot. Bonds4

About 2-(4-bromobenzoyl)-N-(1-methylindazol-3-yl)benzamide

2-(4-bromobenzoyl)-N-(1-methylindazol-3-yl)benzamide (PubChem CID 166366018) has the molecular formula C22H16BrN3O2 and a molecular weight of 434.29 g/mol. Its IUPAC name is 2-(4-bromobenzoyl)-N-(1-methylindazol-3-yl)benzamide.

Molecular Properties

Compound Name2-(4-bromobenzoyl)-N-(1-methylindazol-3-yl)benzamide
PubChem CID166366018
Molecular FormulaC22H16BrN3O2
Molecular Weight434.29 g/mol
Exact Mass433.04
IUPAC Name2-(4-bromobenzoyl)-N-(1-methylindazol-3-yl)benzamide
SMILESCn1nc(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C22H16BrN3O2/c1-26-19-9-5-4-8-18(19)21(25-26)24-22(28)17-7-3-2-6-16(17)20(27)14-10-12-15(23)13-11-14/h2-13H,1H3,(H,24,25,28)
InChIKeyXYQRMYCXMPTCEH-UHFFFAOYSA-N
XLogP4.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide
CID 167804724
(E)-4-[(1-methylindazol-3-yl)amino]-4-oxobut-2-enoic acid
CID 122360690
[5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone
CID 19777087
4-methyl-N-(1-methylindazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
CID 121278103
N-[(2R)-1-amino-1-oxopropan-2-yl]-2-(4-bromobenzoyl)benzamide
CID 51931809
N-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide
CID 136567478
N-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide
CID 103116225
2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126603643
N,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide
CID 19410634
N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 95197391
(2-fluorophenyl)-(1-methylindazol-3-yl)methanone
CID 103124147
2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide
CID 46984636

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobenzoyl)-N-(1-methylindazol-3-yl)benzamide?
The IUPAC name of 2-(4-bromobenzoyl)-N-(1-methylindazol-3-yl)benzamide (CID 166366018) is 2-(4-bromobenzoyl)-N-(1-methylindazol-3-yl)benzamide.
What is the SMILES notation for 2-(4-bromobenzoyl)-N-(1-methylindazol-3-yl)benzamide?
The canonical SMILES for 2-(4-bromobenzoyl)-N-(1-methylindazol-3-yl)benzamide is Cn1nc(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 2-(4-bromobenzoyl)-N-(1-methylindazol-3-yl)benzamide?
The InChIKey is XYQRMYCXMPTCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O2/c1-26-19-9-5-4-8-18(19)21(25-26)24-22(28)17-7-3-2-6-16(17)20(27)14-10-12-15(23)13-11-14/h2-13H,1H3,(H,24,25,28).
What are the key properties of 2-(4-bromobenzoyl)-N-(1-methylindazol-3-yl)benzamide?
2-(4-bromobenzoyl)-N-(1-methylindazol-3-yl)benzamide has a molecular weight of 434.29 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobenzoyl)-N-(1-methylindazol-3-yl)benzamide is sourced from PubChem (CID 166366018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).