3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide

C12H14BrClN2O2 — CID 103826635

IUPAC3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide
SMILESCN(C)C(=O)CCNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H14BrClN2O2/c1-16(2)11(17)3-4-15-12(18)8-5-9(13)7-10(14)6-8/h5-7H,3-4H2,1-2H3,(H,15,18)
InChIKeyAVTMZECPFOBRDK-UHFFFAOYSA-N
MW333.61 g/mol
LogP2.31
Rot. Bonds4

About 3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide

3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide (PubChem CID 103826635) has the molecular formula C12H14BrClN2O2 and a molecular weight of 333.61 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide
PubChem CID103826635
Molecular FormulaC12H14BrClN2O2
Molecular Weight333.61 g/mol
Exact Mass331.99
IUPAC Name3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide
SMILESCN(C)C(=O)CCNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H14BrClN2O2/c1-16(2)11(17)3-4-15-12(18)8-5-9(13)7-10(14)6-8/h5-7H,3-4H2,1-2H3,(H,15,18)
InChIKeyAVTMZECPFOBRDK-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

ethyl 3-[(3-bromo-5-chlorobenzoyl)amino]propanoate
CID 103826754
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883
3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide
CID 103826990
6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid
CID 107938039
3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 113286145
3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide
CID 103826993
3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107342962
3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 107952730
6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid
CID 107938037
3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide
CID 103826764
3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107940200

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide (CID 103826635) is 3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide is CN(C)C(=O)CCNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide?
The InChIKey is AVTMZECPFOBRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O2/c1-16(2)11(17)3-4-15-12(18)8-5-9(13)7-10(14)6-8/h5-7H,3-4H2,1-2H3,(H,15,18).
What are the key properties of 3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide?
3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide has a molecular weight of 333.61 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 103826635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).