4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide

C16H22BrNO2 — CID 102851284

IUPAC4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(CBr)cc1)N(CCO)C1CCCCC1
InChIInChI=1S/C16H22BrNO2/c17-12-13-6-8-14(9-7-13)16(20)18(10-11-19)15-4-2-1-3-5-15/h6-9,15,19H,1-5,10-12H2
InChIKeyOITFRRKOUIEERC-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.35
Rot. Bonds5

About 4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide

4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide (PubChem CID 102851284) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide
PubChem CID102851284
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(CBr)cc1)N(CCO)C1CCCCC1
InChIInChI=1S/C16H22BrNO2/c17-12-13-6-8-14(9-7-13)16(20)18(10-11-19)15-4-2-1-3-5-15/h6-9,15,19H,1-5,10-12H2
InChIKeyOITFRRKOUIEERC-UHFFFAOYSA-N
XLogP3.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861173
N-cyclobutyl-4-ethyl-N-(2-hydroxyethyl)benzamide
CID 102684931
N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide
CID 54994461
4-bromo-N-cyclohexyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 103956472
N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide
CID 102866633
4-(bromomethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 102851269
N-cyclohexyl-N-(2-hydroxyethyl)furan-2-carboxamide
CID 54942763
N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide
CID 43576669
N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide
CID 102850934
3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 102684435
4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391545

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide (CID 102851284) is 4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide is O=C(c1ccc(CBr)cc1)N(CCO)C1CCCCC1.
What is the InChIKey of 4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide?
The InChIKey is OITFRRKOUIEERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c17-12-13-6-8-14(9-7-13)16(20)18(10-11-19)15-4-2-1-3-5-15/h6-9,15,19H,1-5,10-12H2.
What are the key properties of 4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide?
4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide has a molecular weight of 340.26 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 102851284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).