2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide

C14H20BrNO — CID 80979920

IUPAC2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
SMILESCc1ccc(Br)c(C(=O)N(C)C(C)C(C)C)c1
InChIInChI=1S/C14H20BrNO/c1-9(2)11(4)16(5)14(17)12-8-10(3)6-7-13(12)15/h6-9,11H,1-5H3
InChIKeyCSXJEVIRAMPWSS-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.87
Rot. Bonds3

About 2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide

2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide (PubChem CID 80979920) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
PubChem CID80979920
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
SMILESCc1ccc(Br)c(C(=O)N(C)C(C)C(C)C)c1
InChIInChI=1S/C14H20BrNO/c1-9(2)11(4)16(5)14(17)12-8-10(3)6-7-13(12)15/h6-9,11H,1-5H3
InChIKeyCSXJEVIRAMPWSS-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 62510545
2-[(2-bromo-5-methylbenzoyl)-methylamino]propanoic acid
CID 81110546
2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide
CID 80979017
1-(2-bromo-5-methylphenyl)-2,3-dimethylbutan-1-one
CID 130674056
2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
CID 80980455
2-(ethylamino)-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 62510547
N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide
CID 115317454
2-bromo-N-(2-bromoethyl)-N,5-dimethylbenzamide
CID 81117833
4-bromo-N-methyl-N-(3-methylbutan-2-yl)-2-sulfanylbenzamide
CID 107023162
2-bromo-N,N-bis(2-hydroxyethyl)-5-methylbenzamide
CID 81109663
2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968411
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N,5-dimethylbenzamide
CID 81118021

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide (CID 80979920) is 2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide is Cc1ccc(Br)c(C(=O)N(C)C(C)C(C)C)c1.
What is the InChIKey of 2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is CSXJEVIRAMPWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9(2)11(4)16(5)14(17)12-8-10(3)6-7-13(12)15/h6-9,11H,1-5H3.
What are the key properties of 2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide?
2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 298.22 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 80979920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).