2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide

C15H23BrN2O — CID 54877519

IUPAC2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1ccccc1Br
InChIInChI=1S/C15H23BrN2O/c1-11(2)9-12(10-18(3)4)17-15(19)13-7-5-6-8-14(13)16/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)
InChIKeyGDICXPDOPYTYMN-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.16
Rot. Bonds6

About 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide

2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide (PubChem CID 54877519) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
PubChem CID54877519
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1ccccc1Br
InChIInChI=1S/C15H23BrN2O/c1-11(2)9-12(10-18(3)4)17-15(19)13-7-5-6-8-14(13)16/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)
InChIKeyGDICXPDOPYTYMN-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)benzamide
CID 61376334
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide
CID 103752619
2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 163212007
3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide
CID 81472392
6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide
CID 103875259
3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 107980196
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,5-dimethylthiophene-3-carboxamide
CID 86994687
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide
CID 107731679
3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide
CID 66484293
ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959669
2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
CID 114315987
N-(4-aminobutan-2-yl)-2-bromobenzamide
CID 139298037

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide (CID 54877519) is 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide is CC(C)CC(CN(C)C)NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide?
The InChIKey is GDICXPDOPYTYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11(2)9-12(10-18(3)4)17-15(19)13-7-5-6-8-14(13)16/h5-8,11-12H,9-10H2,1-4H3,(H,17,19).
What are the key properties of 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide?
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide has a molecular weight of 327.27 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide is sourced from PubChem (CID 54877519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).