N-(3-bromo-4-methylphenyl)-2-ethylhexanamide

C15H22BrNO — CID 55223159

IUPACN-(3-bromo-4-methylphenyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-4-6-7-12(5-2)15(18)17-13-9-8-11(3)14(16)10-13/h8-10,12H,4-7H2,1-3H3,(H,17,18)
InChIKeyBSPURNOBODDYOQ-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.91
Rot. Bonds6

About N-(3-bromo-4-methylphenyl)-2-ethylhexanamide

N-(3-bromo-4-methylphenyl)-2-ethylhexanamide (PubChem CID 55223159) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-ethylhexanamide
PubChem CID55223159
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-(3-bromo-4-methylphenyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-4-6-7-12(5-2)15(18)17-13-9-8-11(3)14(16)10-13/h8-10,12H,4-7H2,1-3H3,(H,17,18)
InChIKeyBSPURNOBODDYOQ-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441
N-(3,4-dibromophenyl)-2-ethylbutanamide
CID 3701645
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
3-bromo-N-heptan-3-yl-4-methylaniline
CID 63946952
N-(1,3-dioxoisoindol-5-yl)-2-ethylhexanamide
CID 19736343
5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide
CID 112517472
N-(3-bromo-4-methylphenyl)-2-carbamothioylbutanamide
CID 63334620
2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 46549642
N-(3-bromo-4-methylphenyl)-2-sulfanylpropanamide
CID 83768513
2-amino-N-(3-bromo-4-methylphenyl)propanamide
CID 63334898
N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309171
2-ethyl-N-(3-formylphenyl)hexanamide
CID 54554247

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-ethylhexanamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-ethylhexanamide (CID 55223159) is N-(3-bromo-4-methylphenyl)-2-ethylhexanamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-ethylhexanamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-ethylhexanamide?
The InChIKey is BSPURNOBODDYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-4-6-7-12(5-2)15(18)17-13-9-8-11(3)14(16)10-13/h8-10,12H,4-7H2,1-3H3,(H,17,18).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-ethylhexanamide?
N-(3-bromo-4-methylphenyl)-2-ethylhexanamide has a molecular weight of 312.25 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-ethylhexanamide is sourced from PubChem (CID 55223159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).