4-bromo-N-(3-imino-1,2-dihydroinden-5-yl)-2-methylbenzamide

C17H15BrN2O — CID 167065508

IUPAC4-bromo-N-(3-imino-1,2-dihydroinden-5-yl)-2-methylbenzamide
SMILES[H]/N=C1\CCc2ccc(NC(=O)c3ccc(Br)cc3C)cc21
InChIInChI=1S/C17H15BrN2O/c1-10-8-12(18)4-6-14(10)17(21)20-13-5-2-11-3-7-16(19)15(11)9-13/h2,4-6,8-9,19H,3,7H2,1H3,(H,20,21)/b19-16+
InChIKeyJQORVOHEBRGIAR-KNTRCKAVSA-N
MW343.22 g/mol
LogP4.32
Rot. Bonds2

About 4-bromo-N-(3-imino-1,2-dihydroinden-5-yl)-2-methylbenzamide

4-bromo-N-(3-imino-1,2-dihydroinden-5-yl)-2-methylbenzamide (PubChem CID 167065508) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-bromo-N-(3-imino-1,2-dihydroinden-5-yl)-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-imino-1,2-dihydroinden-5-yl)-2-methylbenzamide
PubChem CID167065508
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name4-bromo-N-(3-imino-1,2-dihydroinden-5-yl)-2-methylbenzamide
SMILES[H]/N=C1\CCc2ccc(NC(=O)c3ccc(Br)cc3C)cc21
InChIInChI=1S/C17H15BrN2O/c1-10-8-12(18)4-6-14(10)17(21)20-13-5-2-11-3-7-16(19)15(11)9-13/h2,4-6,8-9,19H,3,7H2,1H3,(H,20,21)/b19-16+
InChIKeyJQORVOHEBRGIAR-KNTRCKAVSA-N
XLogP4.32
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide
CID 62901139
N-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide
CID 165010635
4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651193
4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793271
2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 63405749
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103883202
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide
CID 107937331
2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 114369877
5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide
CID 65312010

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-imino-1,2-dihydroinden-5-yl)-2-methylbenzamide?
The IUPAC name of 4-bromo-N-(3-imino-1,2-dihydroinden-5-yl)-2-methylbenzamide (CID 167065508) is 4-bromo-N-(3-imino-1,2-dihydroinden-5-yl)-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(3-imino-1,2-dihydroinden-5-yl)-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-(3-imino-1,2-dihydroinden-5-yl)-2-methylbenzamide is [H]/N=C1\CCc2ccc(NC(=O)c3ccc(Br)cc3C)cc21.
What is the InChIKey of 4-bromo-N-(3-imino-1,2-dihydroinden-5-yl)-2-methylbenzamide?
The InChIKey is JQORVOHEBRGIAR-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-10-8-12(18)4-6-14(10)17(21)20-13-5-2-11-3-7-16(19)15(11)9-13/h2,4-6,8-9,19H,3,7H2,1H3,(H,20,21)/b19-16+.
What are the key properties of 4-bromo-N-(3-imino-1,2-dihydroinden-5-yl)-2-methylbenzamide?
4-bromo-N-(3-imino-1,2-dihydroinden-5-yl)-2-methylbenzamide has a molecular weight of 343.22 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-imino-1,2-dihydroinden-5-yl)-2-methylbenzamide is sourced from PubChem (CID 167065508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).