4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide

C13H17BrClNO2 — CID 81002884

IUPAC4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
SMILESCOCC(NC(=O)c1ccc(Br)c(Cl)c1)C(C)C
InChIInChI=1S/C13H17BrClNO2/c1-8(2)12(7-18-3)16-13(17)9-4-5-10(14)11(15)6-9/h4-6,8,12H,7H2,1-3H3,(H,16,17)
InChIKeyMHKYJZGTWSOTID-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.50
Rot. Bonds5

About 4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide

4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide (PubChem CID 81002884) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
PubChem CID81002884
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
SMILESCOCC(NC(=O)c1ccc(Br)c(Cl)c1)C(C)C
InChIInChI=1S/C13H17BrClNO2/c1-8(2)12(7-18-3)16-13(17)9-4-5-10(14)11(15)6-9/h4-6,8,12H,7H2,1-3H3,(H,16,17)
InChIKeyMHKYJZGTWSOTID-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65381406
4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide
CID 113368724
2-bromo-N-(1-methoxy-3-methylbutan-2-yl)-5-methylbenzamide
CID 81002971
3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide
CID 114113915
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-bromo-3-chlorobenzamide
CID 124589162
3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65050177
4-bromo-3-chloro-N-(1-cyano-2-methylpropyl)benzamide
CID 81003026
4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 81295056
4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 80965532
methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate
CID 80954153
5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide
CID 65052981
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-nitrobenzamide
CID 65053084

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide (CID 81002884) is 4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide is COCC(NC(=O)c1ccc(Br)c(Cl)c1)C(C)C.
What is the InChIKey of 4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide?
The InChIKey is MHKYJZGTWSOTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-8(2)12(7-18-3)16-13(17)9-4-5-10(14)11(15)6-9/h4-6,8,12H,7H2,1-3H3,(H,16,17).
What are the key properties of 4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide?
4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide has a molecular weight of 334.64 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 81002884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).