3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide

C19H22BrNO3 — CID 30769698

IUPAC3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide
SMILESCCOc1cc(C(=O)N(CC)c2ccccc2C)cc(Br)c1OC
InChIInChI=1S/C19H22BrNO3/c1-5-21(16-10-8-7-9-13(16)3)19(22)14-11-15(20)18(23-4)17(12-14)24-6-2/h7-12H,5-6H2,1-4H3
InChIKeyWNUNUFYKGVCADP-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.83
Rot. Bonds6

About 3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide

3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide (PubChem CID 30769698) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide
PubChem CID30769698
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide
SMILESCCOc1cc(C(=O)N(CC)c2ccccc2C)cc(Br)c1OC
InChIInChI=1S/C19H22BrNO3/c1-5-21(16-10-8-7-9-13(16)3)19(22)14-11-15(20)18(23-4)17(12-14)24-6-2/h7-12H,5-6H2,1-4H3
InChIKeyWNUNUFYKGVCADP-UHFFFAOYSA-N
XLogP4.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide
CID 79467562
6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide
CID 66464248
3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide
CID 61091736
5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide
CID 43424615
3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide
CID 78784050
3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916792
5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79929863
2-(4-ethoxyphenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 86922113
3-bromo-4-ethoxy-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 94143951
3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide
CID 82183957
(2-anilino-2-oxoethyl) 3-bromo-5-ethoxy-4-methoxybenzoate
CID 7557961
3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 7959624

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide?
The IUPAC name of 3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide (CID 30769698) is 3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide is CCOc1cc(C(=O)N(CC)c2ccccc2C)cc(Br)c1OC.
What is the InChIKey of 3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide?
The InChIKey is WNUNUFYKGVCADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-5-21(16-10-8-7-9-13(16)3)19(22)14-11-15(20)18(23-4)17(12-14)24-6-2/h7-12H,5-6H2,1-4H3.
What are the key properties of 3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide?
3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide has a molecular weight of 392.29 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 30769698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).