2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide

C15H20BrClN2O2 — CID 103763940

IUPAC2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Br)C(=O)N(C)C
InChIInChI=1S/C15H20BrClN2O2/c1-9(2)7-13(15(21)19(3)4)18-14(20)11-6-5-10(17)8-12(11)16/h5-6,8-9,13H,7H2,1-4H3,(H,18,20)
InChIKeyIWTRXRLQGWGMPQ-UHFFFAOYSA-N
MW375.69 g/mol
LogP3.34
Rot. Bonds5

About 2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide

2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 103763940) has the molecular formula C15H20BrClN2O2 and a molecular weight of 375.69 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
PubChem CID103763940
Molecular FormulaC15H20BrClN2O2
Molecular Weight375.69 g/mol
Exact Mass374.04
IUPAC Name2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Br)C(=O)N(C)C
InChIInChI=1S/C15H20BrClN2O2/c1-9(2)7-13(15(21)19(3)4)18-14(20)11-6-5-10(17)8-12(11)16/h5-6,8-9,13H,7H2,1-4H3,(H,18,20)
InChIKeyIWTRXRLQGWGMPQ-UHFFFAOYSA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.69
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide
CID 103706839
2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103825446
(2S)-2-[(2-bromo-4-chlorobenzoyl)amino]propanoic acid
CID 103821374
2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 114917725
2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide
CID 103764241
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
CID 103763560
2,4-dichloro-N-[1-[(3,4-difluorophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 55558112
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185164
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285
2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 78783255
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide
CID 61376513

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide (CID 103763940) is 2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1Br)C(=O)N(C)C.
What is the InChIKey of 2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is IWTRXRLQGWGMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O2/c1-9(2)7-13(15(21)19(3)4)18-14(20)11-6-5-10(17)8-12(11)16/h5-6,8-9,13H,7H2,1-4H3,(H,18,20).
What are the key properties of 2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 375.69 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 103763940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).