3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide

C13H17BrClNO2 — CID 113402978

IUPAC3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide
SMILESCCCC(COC)NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H17BrClNO2/c1-3-5-9(8-18-2)16-13(17)10-6-4-7-11(14)12(10)15/h4,6-7,9H,3,5,8H2,1-2H3,(H,16,17)
InChIKeyOCLPAZPORUOGAC-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.65
Rot. Bonds6

About 3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide

3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide (PubChem CID 113402978) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide
PubChem CID113402978
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide
SMILESCCCC(COC)NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H17BrClNO2/c1-3-5-9(8-18-2)16-13(17)10-6-4-7-11(14)12(10)15/h4,6-7,9H,3,5,8H2,1-2H3,(H,16,17)
InChIKeyOCLPAZPORUOGAC-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103975283
3-chloro-N-(1-methoxypentan-2-yl)-2-nitrobenzamide
CID 115541151
3-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzamide
CID 106182197
3-amino-N-(1-methoxypentan-2-yl)-2-nitrobenzamide
CID 115549148
3-amino-2-chloro-N-hexan-3-ylbenzamide
CID 112575833
2-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylbenzamide
CID 103855412
2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide
CID 107075408
3-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 113362656
ethyl 3-[(3-bromo-2-chlorobenzoyl)amino]butanoate
CID 122136457
3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 103988730
3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103990835
5-[(3-bromo-2-chlorobenzoyl)amino]hexanoic acid
CID 113402887

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide (CID 113402978) is 3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide is CCCC(COC)NC(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide?
The InChIKey is OCLPAZPORUOGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-3-5-9(8-18-2)16-13(17)10-6-4-7-11(14)12(10)15/h4,6-7,9H,3,5,8H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide?
3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide has a molecular weight of 334.64 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide is sourced from PubChem (CID 113402978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).