3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide

C20H24BrNO3 — CID 3908211

IUPAC3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2C)cc1OCC
InChIInChI=1S/C20H24BrNO3/c1-5-9-25-19-16(21)11-15(12-18(19)24-6-2)20(23)22-17-8-7-13(3)10-14(17)4/h7-8,10-12H,5-6,9H2,1-4H3,(H,22,23)
InChIKeyAVLASODOAGVMLE-UHFFFAOYSA-N
MW406.32 g/mol
LogP5.51
Rot. Bonds7

About 3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide

3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide (PubChem CID 3908211) has the molecular formula C20H24BrNO3 and a molecular weight of 406.32 g/mol. Its IUPAC name is 3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide
PubChem CID3908211
Molecular FormulaC20H24BrNO3
Molecular Weight406.32 g/mol
Exact Mass405.09
IUPAC Name3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2C)cc1OCC
InChIInChI=1S/C20H24BrNO3/c1-5-9-25-19-16(21)11-15(12-18(19)24-6-2)20(23)22-17-8-7-13(3)10-14(17)4/h7-8,10-12H,5-6,9H2,1-4H3,(H,22,23)
InChIKeyAVLASODOAGVMLE-UHFFFAOYSA-N
XLogP5.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.32
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide
CID 5034614
N-(2,4-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2600021
[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 3,4,5-triethoxybenzoate
CID 19181567
3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide
CID 17342692
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide
CID 26663505
3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide
CID 4814298
3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 35865220
3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide
CID 7930887
3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide
CID 9276291
(Z)-3-(3-bromo-4,5-diethoxyphenyl)-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 1274448
3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide
CID 46466063

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide (CID 3908211) is 3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2C)cc1OCC.
What is the InChIKey of 3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide?
The InChIKey is AVLASODOAGVMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO3/c1-5-9-25-19-16(21)11-15(12-18(19)24-6-2)20(23)22-17-8-7-13(3)10-14(17)4/h7-8,10-12H,5-6,9H2,1-4H3,(H,22,23).
What are the key properties of 3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide?
3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide has a molecular weight of 406.32 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,4-dimethylphenyl)-5-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 3908211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).