2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide

C17H23Br2NO — CID 107951942

IUPAC2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
SMILESCC1CCC(C(C)C)C(NC(=O)c2ccc(Br)cc2Br)C1
InChIInChI=1S/C17H23Br2NO/c1-10(2)13-6-4-11(3)8-16(13)20-17(21)14-7-5-12(18)9-15(14)19/h5,7,9-11,13,16H,4,6,8H2,1-3H3,(H,20,21)
InChIKeyHZGVWNGTERHZMG-UHFFFAOYSA-N
MW417.19 g/mol
LogP5.40
Rot. Bonds3

About 2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide

2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide (PubChem CID 107951942) has the molecular formula C17H23Br2NO and a molecular weight of 417.19 g/mol. Its IUPAC name is 2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
PubChem CID107951942
Molecular FormulaC17H23Br2NO
Molecular Weight417.19 g/mol
Exact Mass415.01
IUPAC Name2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
SMILESCC1CCC(C(C)C)C(NC(=O)c2ccc(Br)cc2Br)C1
InChIInChI=1S/C17H23Br2NO/c1-10(2)13-6-4-11(3)8-16(13)20-17(21)14-7-5-12(18)9-15(14)19/h5,7,9-11,13,16H,4,6,8H2,1-3H3,(H,20,21)
InChIKeyHZGVWNGTERHZMG-UHFFFAOYSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.19
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 61214396
4,5-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)thiophene-2-carboxamide
CID 80536614
5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 63483142
5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
CID 63526340
2-(methylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 63552614
2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
CID 103883477
3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
CID 66482936
2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107938073
N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
CID 126621339
2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
CID 6932663
5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 63997417
2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide
CID 107939661

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide (CID 107951942) is 2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide is CC1CCC(C(C)C)C(NC(=O)c2ccc(Br)cc2Br)C1.
What is the InChIKey of 2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide?
The InChIKey is HZGVWNGTERHZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Br2NO/c1-10(2)13-6-4-11(3)8-16(13)20-17(21)14-7-5-12(18)9-15(14)19/h5,7,9-11,13,16H,4,6,8H2,1-3H3,(H,20,21).
What are the key properties of 2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide?
2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide has a molecular weight of 417.19 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide is sourced from PubChem (CID 107951942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).