2-bromo-N-ethyl-N-(3-methylphenyl)butanamide

C13H18BrNO — CID 25219729

IUPAC2-bromo-N-ethyl-N-(3-methylphenyl)butanamide
SMILESCCC(Br)C(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C13H18BrNO/c1-4-12(14)13(16)15(5-2)11-8-6-7-10(3)9-11/h6-9,12H,4-5H2,1-3H3
InChIKeyGGMWSELHDMGTAY-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.52
Rot. Bonds4

About 2-bromo-N-ethyl-N-(3-methylphenyl)butanamide

2-bromo-N-ethyl-N-(3-methylphenyl)butanamide (PubChem CID 25219729) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-(3-methylphenyl)butanamide
PubChem CID25219729
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-bromo-N-ethyl-N-(3-methylphenyl)butanamide
SMILESCCC(Br)C(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C13H18BrNO/c1-4-12(14)13(16)15(5-2)11-8-6-7-10(3)9-11/h6-9,12H,4-5H2,1-3H3
InChIKeyGGMWSELHDMGTAY-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide
CID 22690792
N-ethyl-3-methyl-N-(3-methylphenyl)-2-sulfanylbutanamide
CID 107023755
4-(N-ethyl-3-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497969
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
2-bromo-N-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 62855223
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
2-amino-N-ethyl-5-methoxy-N-(3-methylphenyl)pentanamide
CID 81088935
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-(3-methylphenyl)butanamide?
The IUPAC name of 2-bromo-N-ethyl-N-(3-methylphenyl)butanamide (CID 25219729) is 2-bromo-N-ethyl-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-(3-methylphenyl)butanamide?
The canonical SMILES for 2-bromo-N-ethyl-N-(3-methylphenyl)butanamide is CCC(Br)C(=O)N(CC)c1cccc(C)c1.
What is the InChIKey of 2-bromo-N-ethyl-N-(3-methylphenyl)butanamide?
The InChIKey is GGMWSELHDMGTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-4-12(14)13(16)15(5-2)11-8-6-7-10(3)9-11/h6-9,12H,4-5H2,1-3H3.
What are the key properties of 2-bromo-N-ethyl-N-(3-methylphenyl)butanamide?
2-bromo-N-ethyl-N-(3-methylphenyl)butanamide has a molecular weight of 284.20 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 25219729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).