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

C11H13BrClNO2 — CID 103975283

IUPAC3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C11H13BrClNO2/c1-7(6-16-2)14-11(15)8-4-3-5-9(12)10(8)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyBRXSWVWNTQPPEU-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.87
Rot. Bonds4

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

3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 103975283) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide
PubChem CID103975283
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C11H13BrClNO2/c1-7(6-16-2)14-11(15)8-4-3-5-9(12)10(8)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyBRXSWVWNTQPPEU-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103990835
3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide
CID 113402978
ethyl 3-[(3-bromo-2-chlorobenzoyl)amino]butanoate
CID 122136457
5-[(3-bromo-2-chlorobenzoyl)amino]hexanoic acid
CID 113402887
3-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 113362656
3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107860048
3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 103985509
3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103994641
3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 103988730
3-bromo-2-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 103994750
3-bromo-2-chloro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 103985511
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide (CID 103975283) is 3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide is COCC(C)NC(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is BRXSWVWNTQPPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-7(6-16-2)14-11(15)8-4-3-5-9(12)10(8)13/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide?
3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 306.59 g/mol, XLogP of 2.87, 4 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-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 103975283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).