2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide

C14H19BrClNO — CID 62855747

IUPAC2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)C(Br)CC
InChIInChI=1S/C14H19BrClNO/c1-4-9-7-8-12(16)10(5-2)13(9)17-14(18)11(15)6-3/h7-8,11H,4-6H2,1-3H3,(H,17,18)
InChIKeyAJSWQHNMGCPMGQ-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.58
Rot. Bonds5

About 2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide

2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide (PubChem CID 62855747) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide
PubChem CID62855747
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)C(Br)CC
InChIInChI=1S/C14H19BrClNO/c1-4-9-7-8-12(16)10(5-2)13(9)17-14(18)11(15)6-3/h7-8,11H,4-6H2,1-3H3,(H,17,18)
InChIKeyAJSWQHNMGCPMGQ-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890756
1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea
CID 47197433
N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669715
2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide
CID 106852902
3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
CID 29298588
2,3-dibromo-N-(2,6-diethylphenyl)propanamide
CID 14820859
1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea
CID 52593738
N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide
CID 7920564
2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide
CID 56812801
1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
CID 95771319
1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol
CID 168640686

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide?
The IUPAC name of 2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide (CID 62855747) is 2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide.
What is the SMILES notation for 2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide?
The canonical SMILES for 2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide is CCc1ccc(Cl)c(CC)c1NC(=O)C(Br)CC.
What is the InChIKey of 2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide?
The InChIKey is AJSWQHNMGCPMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-4-9-7-8-12(16)10(5-2)13(9)17-14(18)11(15)6-3/h7-8,11H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide?
2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide has a molecular weight of 332.67 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide is sourced from PubChem (CID 62855747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).