2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide

C16H21Br2NO — CID 114372404

IUPAC2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide
SMILESCC1CCC(CCNC(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C16H21Br2NO/c1-11-2-4-12(5-3-11)8-9-19-16(20)14-10-13(17)6-7-15(14)18/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyWMMHYUCZQDGUHA-UHFFFAOYSA-N
MW403.16 g/mol
LogP5.16
Rot. Bonds4

About 2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide

2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide (PubChem CID 114372404) has the molecular formula C16H21Br2NO and a molecular weight of 403.16 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide
PubChem CID114372404
Molecular FormulaC16H21Br2NO
Molecular Weight403.16 g/mol
Exact Mass401.00
IUPAC Name2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide
SMILESCC1CCC(CCNC(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C16H21Br2NO/c1-11-2-4-12(5-3-11)8-9-19-16(20)14-10-13(17)6-7-15(14)18/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyWMMHYUCZQDGUHA-UHFFFAOYSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.16
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide
CID 100537060
5-chloro-N-[2-(4-methylcyclohexyl)ethyl]furan-2-carboxamide
CID 106686875
2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide
CID 114036166
2-bromo-N-(3-cyclopropylpropyl)-5-sulfanylbenzamide
CID 107036030
2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide
CID 113238439
2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
CID 114374303
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
CID 114375801
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one
CID 114978303
2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
CID 114372498

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide (CID 114372404) is 2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide is CC1CCC(CCNC(=O)c2cc(Br)ccc2Br)CC1.
What is the InChIKey of 2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide?
The InChIKey is WMMHYUCZQDGUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Br2NO/c1-11-2-4-12(5-3-11)8-9-19-16(20)14-10-13(17)6-7-15(14)18/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20).
What are the key properties of 2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide?
2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide has a molecular weight of 403.16 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide is sourced from PubChem (CID 114372404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).