3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide

C11H13BrClNO2 — CID 103826410

IUPAC3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H13BrClNO2/c1-7(6-16-2)14-11(15)8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyRUAXNWBPOZVKAK-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.87
Rot. Bonds4

About 3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide

3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 103826410) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide
PubChem CID103826410
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H13BrClNO2/c1-7(6-16-2)14-11(15)8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyRUAXNWBPOZVKAK-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

3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide
CID 107941338
3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide
CID 103908423
3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368353
3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 107941141
methyl 2-[(3-bromo-5-chlorobenzoyl)amino]-3-methylbutanoate
CID 103827001
4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide
CID 82787029
3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103826722
1-(3-bromo-5-chlorophenyl)-4-methoxy-2-methylbutan-1-one
CID 107944782
3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 107941583
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide (CID 103826410) is 3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide is COCC(C)NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is RUAXNWBPOZVKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-7(6-16-2)14-11(15)8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide?
3-bromo-5-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-5-chloro-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 103826410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).