2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide

C14H18BrNO2 — CID 108734108

IUPAC2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
SMILESCCC(Br)C(=O)NC1CCOc2ccc(C)cc21
InChIInChI=1S/C14H18BrNO2/c1-3-11(15)14(17)16-12-6-7-18-13-5-4-9(2)8-10(12)13/h4-5,8,11-12H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyCFJLDFLDOYCIOY-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.11
Rot. Bonds3

About 2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide

2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide (PubChem CID 108734108) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
PubChem CID108734108
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
SMILESCCC(Br)C(=O)NC1CCOc2ccc(C)cc21
InChIInChI=1S/C14H18BrNO2/c1-3-11(15)14(17)16-12-6-7-18-13-5-4-9(2)8-10(12)13/h4-5,8,11-12H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyCFJLDFLDOYCIOY-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108734122
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide
CID 108757452
2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734105
(2S)-N-[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94488724
4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108757448
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262
4-[(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-4-oxobutanoic acid
CID 110481780
4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide
CID 108734145
2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108757445
N-[6-(1-hydroxybutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82171156
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide?
The IUPAC name of 2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide (CID 108734108) is 2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide.
What is the SMILES notation for 2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide?
The canonical SMILES for 2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide is CCC(Br)C(=O)NC1CCOc2ccc(C)cc21.
What is the InChIKey of 2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide?
The InChIKey is CFJLDFLDOYCIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-3-11(15)14(17)16-12-6-7-18-13-5-4-9(2)8-10(12)13/h4-5,8,11-12H,3,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide?
2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide has a molecular weight of 312.21 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide is sourced from PubChem (CID 108734108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).