4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide

C11H13BrClNO2 — CID 104555603

IUPAC4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide
SMILESCC(CCl)N(C)C(=O)c1ccc(Br)cc1O
InChIInChI=1S/C11H13BrClNO2/c1-7(6-13)14(2)11(16)9-4-3-8(12)5-10(9)15/h3-5,7,15H,6H2,1-2H3
InChIKeyFKFPGCVIPHZMLK-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.85
Rot. Bonds3

About 4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide

4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide (PubChem CID 104555603) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide
PubChem CID104555603
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide
SMILESCC(CCl)N(C)C(=O)c1ccc(Br)cc1O
InChIInChI=1S/C11H13BrClNO2/c1-7(6-13)14(2)11(16)9-4-3-8(12)5-10(9)15/h3-5,7,15H,6H2,1-2H3
InChIKeyFKFPGCVIPHZMLK-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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

2-[(4-bromo-2-hydroxybenzoyl)-methylamino]propanoic acid
CID 62627469
4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide
CID 132991594
2,4-dibromo-N-butan-2-yl-N-methylbenzamide
CID 103883121
4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63395588
4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide
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N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide
CID 107726128
N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide
CID 119584919
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide
CID 104556235
4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 54942659
4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103722401
4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide
CID 55228118

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide?
The IUPAC name of 4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide (CID 104555603) is 4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide is CC(CCl)N(C)C(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide?
The InChIKey is FKFPGCVIPHZMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-7(6-13)14(2)11(16)9-4-3-8(12)5-10(9)15/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide?
4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide has a molecular weight of 306.59 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 104555603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).