3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide

C11H15BrN2O2 — CID 107871969

IUPAC3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
SMILESCOCCNC(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C11H15BrN2O2/c1-7-9(5-8(12)6-10(7)13)11(15)14-3-4-16-2/h5-6H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyROMZVPBSBQGOCZ-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.72
Rot. Bonds4

About 3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide

3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide (PubChem CID 107871969) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
PubChem CID107871969
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
SMILESCOCCNC(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C11H15BrN2O2/c1-7-9(5-8(12)6-10(7)13)11(15)14-3-4-16-2/h5-6H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyROMZVPBSBQGOCZ-UHFFFAOYSA-N
XLogP1.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 107872781
3-amino-5-bromo-N-(3-methoxy-2-methylpropyl)-2-methylbenzamide
CID 107872634
3-amino-5-bromo-N-(3-ethoxypropyl)-2-methylbenzamide
CID 114011315
3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 107872407
tert-butyl N-[3-[(3-amino-5-bromo-2-methylbenzoyl)amino]propyl]carbamate
CID 107873195
3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 107872306
5-bromo-3-(2-methoxyethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65368654
3-amino-5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107873229
3-amino-5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 107872185
3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 107872467
2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 107872526

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide (CID 107871969) is 3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide is COCCNC(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide?
The InChIKey is ROMZVPBSBQGOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7-9(5-8(12)6-10(7)13)11(15)14-3-4-16-2/h5-6H,3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide?
3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide has a molecular weight of 287.16 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide is sourced from PubChem (CID 107871969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).