3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide

C12H14BrClN2O2 — CID 113329868

IUPAC3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)c(Br)c1)C(=O)N(C)C
InChIInChI=1S/C12H14BrClN2O2/c1-7(12(18)16(2)3)15-11(17)8-4-5-10(14)9(13)6-8/h4-7H,1-3H3,(H,15,17)
InChIKeyHRLHYWMGLHTUJD-UHFFFAOYSA-N
MW333.61 g/mol
LogP2.31
Rot. Bonds3

About 3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide

3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 113329868) has the molecular formula C12H14BrClN2O2 and a molecular weight of 333.61 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID113329868
Molecular FormulaC12H14BrClN2O2
Molecular Weight333.61 g/mol
Exact Mass331.99
IUPAC Name3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)c(Br)c1)C(=O)N(C)C
InChIInChI=1S/C12H14BrClN2O2/c1-7(12(18)16(2)3)15-11(17)8-4-5-10(14)9(13)6-8/h4-7H,1-3H3,(H,15,17)
InChIKeyHRLHYWMGLHTUJD-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 107999622
3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
CID 107993829
(2R)-2-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbutanoic acid
CID 107997954
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103842962
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide
CID 107993905
N-[1-(4-aminophenyl)ethyl]-3-bromo-4-chlorobenzamide
CID 107990822
(2S)-2-[(3-bromo-4-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 114025710
3-bromo-N-(1-bromopentan-3-yl)-4-chlorobenzamide
CID 107994222
3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854902
3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 103841687
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
CID 114024777

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide (CID 113329868) is 3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccc(Cl)c(Br)c1)C(=O)N(C)C.
What is the InChIKey of 3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is HRLHYWMGLHTUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O2/c1-7(12(18)16(2)3)15-11(17)8-4-5-10(14)9(13)6-8/h4-7H,1-3H3,(H,15,17).
What are the key properties of 3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide?
3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 333.61 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 113329868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).