2-bromo-3-methyl-N-naphthalen-1-ylbutanamide

C15H16BrNO — CID 4074049

IUPAC2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
SMILESCC(C)C(Br)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H16BrNO/c1-10(2)14(16)15(18)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,1-2H3,(H,17,18)
InChIKeyLFLVCYUIGBCYRC-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.20
Rot. Bonds3

About 2-bromo-3-methyl-N-naphthalen-1-ylbutanamide

2-bromo-3-methyl-N-naphthalen-1-ylbutanamide (PubChem CID 4074049) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
PubChem CID4074049
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
SMILESCC(C)C(Br)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H16BrNO/c1-10(2)14(16)15(18)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,1-2H3,(H,17,18)
InChIKeyLFLVCYUIGBCYRC-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.20
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

2-bromo-2-fluoro-N-naphthalen-1-ylacetamide
CID 163361767
2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide
CID 14234666
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
(2R)-2-(2-fluoroanilino)-N-naphthalen-1-ylpropanamide
CID 7872612
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
(2S)-2-bromo-3,3-dimethyl-N-[3-(naphthalen-1-ylamino)-3-oxopropyl]butanamide
CID 40803252
2-bromo-N-(2-hydroxy-3-methylphenyl)-3-methylbutanamide
CID 14234670
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
(2S)-2-bromo-N-(1H-indazol-7-yl)-3-methylbutanamide
CID 93266562
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-naphthalen-1-ylbutanamide?
The IUPAC name of 2-bromo-3-methyl-N-naphthalen-1-ylbutanamide (CID 4074049) is 2-bromo-3-methyl-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-naphthalen-1-ylbutanamide?
The canonical SMILES for 2-bromo-3-methyl-N-naphthalen-1-ylbutanamide is CC(C)C(Br)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-bromo-3-methyl-N-naphthalen-1-ylbutanamide?
The InChIKey is LFLVCYUIGBCYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10(2)14(16)15(18)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,1-2H3,(H,17,18).
What are the key properties of 2-bromo-3-methyl-N-naphthalen-1-ylbutanamide?
2-bromo-3-methyl-N-naphthalen-1-ylbutanamide has a molecular weight of 306.20 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-naphthalen-1-ylbutanamide is sourced from PubChem (CID 4074049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).