N-(3,4-dibromophenyl)-2-ethylbutanamide

C12H15Br2NO — CID 3701645

IUPACN-(3,4-dibromophenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Br)c(Br)c1
InChIInChI=1S/C12H15Br2NO/c1-3-8(4-2)12(16)15-9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyYMYHUMNBPQMFRA-UHFFFAOYSA-N
MW349.07 g/mol
LogP4.59
Rot. Bonds4

About N-(3,4-dibromophenyl)-2-ethylbutanamide

N-(3,4-dibromophenyl)-2-ethylbutanamide (PubChem CID 3701645) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is N-(3,4-dibromophenyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(3,4-dibromophenyl)-2-ethylbutanamide
PubChem CID3701645
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC NameN-(3,4-dibromophenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Br)c(Br)c1
InChIInChI=1S/C12H15Br2NO/c1-3-8(4-2)12(16)15-9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyYMYHUMNBPQMFRA-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309171
N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17172041
N-(3-bromo-4-methylphenyl)-2-ethylhexanamide
CID 55223159
N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide
CID 1241654
N-(3-amino-4-ethylphenyl)-2-ethylbutanamide
CID 28866738
2-ethyl-N-[7-(2-ethylbutanoylamino)-9H-fluoren-2-yl]butanamide
CID 9320374
N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide
CID 64788855
N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309070
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
2-chloro-5-(2-ethylbutanoylamino)benzoic acid
CID 60778386

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dibromophenyl)-2-ethylbutanamide?
The IUPAC name of N-(3,4-dibromophenyl)-2-ethylbutanamide (CID 3701645) is N-(3,4-dibromophenyl)-2-ethylbutanamide.
What is the SMILES notation for N-(3,4-dibromophenyl)-2-ethylbutanamide?
The canonical SMILES for N-(3,4-dibromophenyl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(Br)c(Br)c1.
What is the InChIKey of N-(3,4-dibromophenyl)-2-ethylbutanamide?
The InChIKey is YMYHUMNBPQMFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-3-8(4-2)12(16)15-9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-(3,4-dibromophenyl)-2-ethylbutanamide?
N-(3,4-dibromophenyl)-2-ethylbutanamide has a molecular weight of 349.07 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dibromophenyl)-2-ethylbutanamide is sourced from PubChem (CID 3701645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).