4-bromo-N-ethoxy-3-methylbenzamide

C10H12BrNO2 — CID 115769561

IUPAC4-bromo-N-ethoxy-3-methylbenzamide
SMILESCCONC(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C10H12BrNO2/c1-3-14-12-10(13)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyIBRSLIJMJBRJJA-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.44
Rot. Bonds3

About 4-bromo-N-ethoxy-3-methylbenzamide

4-bromo-N-ethoxy-3-methylbenzamide (PubChem CID 115769561) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 4-bromo-N-ethoxy-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-ethoxy-3-methylbenzamide
PubChem CID115769561
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name4-bromo-N-ethoxy-3-methylbenzamide
SMILESCCONC(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C10H12BrNO2/c1-3-14-12-10(13)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyIBRSLIJMJBRJJA-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-bromo-N-ethoxybenzamide
CID 107813148
4-chloro-N-ethoxy-3-methylbenzamide
CID 115694489
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79676704
methyl 2-[(4-bromo-3-methylbenzoyl)amino]pentanoate
CID 20624229
2-[(4-bromo-3-methylbenzoyl)amino]acetic acid
CID 7303366
4-amino-N-ethoxybenzamide
CID 62058413
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide
CID 112705694
4-bromo-3-methyl-N-prop-2-ynylbenzamide
CID 115769506
N-ethoxy-2H-benzotriazole-5-carboxamide
CID 47143794
ethyl 2-bromo-3-(4-bromo-3-methylphenyl)but-3-enoate
CID 155009595
N-(1-amino-1-sulfanylidenebutan-2-yl)-4-bromo-3-methylbenzamide
CID 113396718

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethoxy-3-methylbenzamide?
The IUPAC name of 4-bromo-N-ethoxy-3-methylbenzamide (CID 115769561) is 4-bromo-N-ethoxy-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-ethoxy-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-ethoxy-3-methylbenzamide is CCONC(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-ethoxy-3-methylbenzamide?
The InChIKey is IBRSLIJMJBRJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-3-14-12-10(13)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 4-bromo-N-ethoxy-3-methylbenzamide?
4-bromo-N-ethoxy-3-methylbenzamide has a molecular weight of 258.11 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethoxy-3-methylbenzamide is sourced from PubChem (CID 115769561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).