bromo 5-acetamido-2-methylbenzoate

C10H10BrNO3 — CID 174576155

IUPACbromo 5-acetamido-2-methylbenzoate
SMILESCC(=O)Nc1ccc(C)c(C(=O)OBr)c1
InChIInChI=1S/C10H10BrNO3/c1-6-3-4-8(12-7(2)13)5-9(6)10(14)15-11/h3-5H,1-2H3,(H,12,13)
InChIKeyNKTQFUZFRVOSRQ-UHFFFAOYSA-N
MW272.10 g/mol
LogP2.42
Rot. Bonds2

About bromo 5-acetamido-2-methylbenzoate

bromo 5-acetamido-2-methylbenzoate (PubChem CID 174576155) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is bromo 5-acetamido-2-methylbenzoate.

Molecular Properties

Compound Namebromo 5-acetamido-2-methylbenzoate
PubChem CID174576155
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Namebromo 5-acetamido-2-methylbenzoate
SMILESCC(=O)Nc1ccc(C)c(C(=O)OBr)c1
InChIInChI=1S/C10H10BrNO3/c1-6-3-4-8(12-7(2)13)5-9(6)10(14)15-11/h3-5H,1-2H3,(H,12,13)
InChIKeyNKTQFUZFRVOSRQ-UHFFFAOYSA-N
XLogP2.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxycarbonyl-4-methylphenyl)carbamic acid
CID 175178489
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
(2,3,6-trimethylphenyl) 5-acetamido-2-fluorobenzoate
CID 60564471
methyl 5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoate;hydrochloride
CID 119337473
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
5-[(2-acetamidoacetyl)amino]-2-methylbenzoic acid
CID 63653680
methyl 2-methyl-5-(methylsulfanylamino)benzoate
CID 144982540
5-acetamido-2-bromobenzoate
CID 7010421
N-(3-cyano-4-methylphenyl)acetamide
CID 130011949
N-[3-acetyl-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetamide
CID 167715007
[2-(4-acetamidoanilino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849964
N-(3-methylphenyl)acetamide
CID 10843

Frequently Asked Questions

What is the IUPAC name of bromo 5-acetamido-2-methylbenzoate?
The IUPAC name of bromo 5-acetamido-2-methylbenzoate (CID 174576155) is bromo 5-acetamido-2-methylbenzoate.
What is the SMILES notation for bromo 5-acetamido-2-methylbenzoate?
The canonical SMILES for bromo 5-acetamido-2-methylbenzoate is CC(=O)Nc1ccc(C)c(C(=O)OBr)c1.
What is the InChIKey of bromo 5-acetamido-2-methylbenzoate?
The InChIKey is NKTQFUZFRVOSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-6-3-4-8(12-7(2)13)5-9(6)10(14)15-11/h3-5H,1-2H3,(H,12,13).
What are the key properties of bromo 5-acetamido-2-methylbenzoate?
bromo 5-acetamido-2-methylbenzoate has a molecular weight of 272.10 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromo 5-acetamido-2-methylbenzoate is sourced from PubChem (CID 174576155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).