N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide

C11H13BrClNO2 — CID 104555993

IUPACN-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide
SMILESCC(CBr)N(C)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H13BrClNO2/c1-7(6-12)14(2)11(16)8-3-4-10(15)9(13)5-8/h3-5,7,15H,6H2,1-2H3
InChIKeyOARLZCAOWCWWTK-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.90
Rot. Bonds3

About N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide

N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide (PubChem CID 104555993) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide
PubChem CID104555993
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC NameN-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide
SMILESCC(CBr)N(C)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H13BrClNO2/c1-7(6-12)14(2)11(16)8-3-4-10(15)9(13)5-8/h3-5,7,15H,6H2,1-2H3
InChIKeyOARLZCAOWCWWTK-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide
CID 43266072
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide
CID 107956806
N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide
CID 104556339
N-(1-bromopropan-2-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107726127
4-bromo-3-chloro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 80979921
N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide
CID 104556293
N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide
CID 104556200
3,4-dihydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 103956182
4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide
CID 104556236
N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
CID 119583428
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide?
The IUPAC name of N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide (CID 104555993) is N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide is CC(CBr)N(C)C(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide?
The InChIKey is OARLZCAOWCWWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-7(6-12)14(2)11(16)8-3-4-10(15)9(13)5-8/h3-5,7,15H,6H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide?
N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide has a molecular weight of 306.59 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide is sourced from PubChem (CID 104555993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).