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

C12H16BrClN2O — CID 107999622

IUPAC3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
SMILESCC(CN(C)C)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H16BrClN2O/c1-8(7-16(2)3)15-12(17)9-4-5-11(14)10(13)6-9/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyGTPUNMMIYAEHQQ-UHFFFAOYSA-N
MW319.63 g/mol
LogP2.78
Rot. Bonds4

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

3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide (PubChem CID 107999622) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
PubChem CID107999622
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
SMILESCC(CN(C)C)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H16BrClN2O/c1-8(7-16(2)3)15-12(17)9-4-5-11(14)10(13)6-9/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyGTPUNMMIYAEHQQ-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
CID 107993829
3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 107953084
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103842962
3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide
CID 107993905
3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854902
3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 113329868
3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 107999560
(2R)-2-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbutanoic acid
CID 107997954
(2S)-2-[(3-bromo-4-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 114025710
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
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)propan-2-yl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide (CID 107999622) is 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide is CC(CN(C)C)NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide?
The InChIKey is GTPUNMMIYAEHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-8(7-16(2)3)15-12(17)9-4-5-11(14)10(13)6-9/h4-6,8H,7H2,1-3H3,(H,15,17).
What are the key properties of 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide?
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide has a molecular weight of 319.63 g/mol, XLogP of 2.78, 4 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)propan-2-yl]benzamide is sourced from PubChem (CID 107999622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).