4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide

C12H15BrClNO3 — CID 113368724

IUPAC4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide
SMILESCOCC(CNC(=O)c1ccc(Br)c(Cl)c1)OC
InChIInChI=1S/C12H15BrClNO3/c1-17-7-9(18-2)6-15-12(16)8-3-4-10(13)11(14)5-8/h3-5,9H,6-7H2,1-2H3,(H,15,16)
InChIKeyNVZXYXJPBVXFRB-UHFFFAOYSA-N
MW336.61 g/mol
LogP2.49
Rot. Bonds6

About 4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide

4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide (PubChem CID 113368724) has the molecular formula C12H15BrClNO3 and a molecular weight of 336.61 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide
PubChem CID113368724
Molecular FormulaC12H15BrClNO3
Molecular Weight336.61 g/mol
Exact Mass334.99
IUPAC Name4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide
SMILESCOCC(CNC(=O)c1ccc(Br)c(Cl)c1)OC
InChIInChI=1S/C12H15BrClNO3/c1-17-7-9(18-2)6-15-12(16)8-3-4-10(13)11(14)5-8/h3-5,9H,6-7H2,1-2H3,(H,15,16)
InChIKeyNVZXYXJPBVXFRB-UHFFFAOYSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.61
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromo-3-chlorobenzoyl)amino]-3-methoxybutanoic acid
CID 103153043
4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
CID 114302596
4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083
4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 81002884
methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate
CID 80954153
5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide
CID 114098924
4-bromo-3-chloro-N-(2-cyanopropyl)benzamide
CID 81002442
4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103773770
4-[(4-bromo-3-methylbenzoyl)amino]-3-methoxybutanoic acid
CID 103152378
4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 81296219
4-bromo-3-chloro-N-(2-ethylhexyl)benzamide
CID 81307789
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902316

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide (CID 113368724) is 4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide is COCC(CNC(=O)c1ccc(Br)c(Cl)c1)OC.
What is the InChIKey of 4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide?
The InChIKey is NVZXYXJPBVXFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO3/c1-17-7-9(18-2)6-15-12(16)8-3-4-10(13)11(14)5-8/h3-5,9H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide?
4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide has a molecular weight of 336.61 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide is sourced from PubChem (CID 113368724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).