N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide

C12H15BrClNO — CID 17312049

IUPACN-(4-bromo-2-chlorophenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO/c1-3-8(4-2)12(16)15-11-6-5-9(13)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyLCJHFBVZYAOAPZ-UHFFFAOYSA-N
MW304.62 g/mol
LogP4.48
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide

N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide (PubChem CID 17312049) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-ethylbutanamide
PubChem CID17312049
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO/c1-3-8(4-2)12(16)15-11-6-5-9(13)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyLCJHFBVZYAOAPZ-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196244
2-[(4-bromo-2-chlorophenyl)carbamoylamino]butanoic acid
CID 61195408
N-(4-bromo-2-chlorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76924610
1-(4-bromo-2-chlorophenyl)-3-methylurea
CID 21161446
ethyl 2-[(4-bromo-2-chlorophenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537647
1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 52662196
3-[[(4-bromo-2-chlorophenyl)carbamoylamino]methyl]pentanoic acid
CID 81069912
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267905
N-(4-chloro-2-methylphenyl)-2-ethylbutanamide
CID 882107
(4-bromo-2-chlorophenyl)urea
CID 60759349
N-(4-bromo-2-chlorophenyl)-2-chloro-2-phenylacetamide
CID 43236641

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide (CID 17312049) is N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide?
The InChIKey is LCJHFBVZYAOAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-3-8(4-2)12(16)15-11-6-5-9(13)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide?
N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide has a molecular weight of 304.62 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide is sourced from PubChem (CID 17312049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).