5-bromo-N-butyl-N,2-dimethylbenzamide

C13H18BrNO — CID 65306915

IUPAC5-bromo-N-butyl-N,2-dimethylbenzamide
SMILESCCCCN(C)C(=O)c1cc(Br)ccc1C
InChIInChI=1S/C13H18BrNO/c1-4-5-8-15(3)13(16)12-9-11(14)7-6-10(12)2/h6-7,9H,4-5,8H2,1-3H3
InChIKeyTUCJUTKOVHSYDF-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.63
Rot. Bonds4

About 5-bromo-N-butyl-N,2-dimethylbenzamide

5-bromo-N-butyl-N,2-dimethylbenzamide (PubChem CID 65306915) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-N-butyl-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-bromo-N-butyl-N,2-dimethylbenzamide
PubChem CID65306915
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name5-bromo-N-butyl-N,2-dimethylbenzamide
SMILESCCCCN(C)C(=O)c1cc(Br)ccc1C
InChIInChI=1S/C13H18BrNO/c1-4-5-8-15(3)13(16)12-9-11(14)7-6-10(12)2/h6-7,9H,4-5,8H2,1-3H3
InChIKeyTUCJUTKOVHSYDF-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 60653969
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5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
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4-bromo-N-butyl-2-methoxy-N-methylbenzamide
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N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
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CID 65309366
5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709255
N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 104872346
1-(5-bromo-2-methylphenyl)decan-1-one
CID 114966443
5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide
CID 63693697
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butyl-N,2-dimethylbenzamide?
The IUPAC name of 5-bromo-N-butyl-N,2-dimethylbenzamide (CID 65306915) is 5-bromo-N-butyl-N,2-dimethylbenzamide.
What is the SMILES notation for 5-bromo-N-butyl-N,2-dimethylbenzamide?
The canonical SMILES for 5-bromo-N-butyl-N,2-dimethylbenzamide is CCCCN(C)C(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N-butyl-N,2-dimethylbenzamide?
The InChIKey is TUCJUTKOVHSYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-4-5-8-15(3)13(16)12-9-11(14)7-6-10(12)2/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 5-bromo-N-butyl-N,2-dimethylbenzamide?
5-bromo-N-butyl-N,2-dimethylbenzamide has a molecular weight of 284.20 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butyl-N,2-dimethylbenzamide is sourced from PubChem (CID 65306915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).