3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide

C18H21BrN2O2 — CID 109039314

IUPAC3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCNc1ccc(C)c(Br)c1
InChIInChI=1S/C18H21BrN2O2/c1-3-23-17-7-5-4-6-16(17)21-18(22)10-11-20-14-9-8-13(2)15(19)12-14/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyHSWJEKYPHDWXPK-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.60
Rot. Bonds7

About 3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide

3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide (PubChem CID 109039314) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide
PubChem CID109039314
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCNc1ccc(C)c(Br)c1
InChIInChI=1S/C18H21BrN2O2/c1-3-23-17-7-5-4-6-16(17)21-18(22)10-11-20-14-9-8-13(2)15(19)12-14/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyHSWJEKYPHDWXPK-UHFFFAOYSA-N
XLogP4.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109035537
3-(2-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039768
N-(3-bromo-4-methylphenyl)-3-(2-methylanilino)propanamide
CID 109034087
3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
CID 109039756
2-(4-bromoanilino)-N-(2-ethoxyphenyl)acetamide
CID 7535577
3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039796
N-(2-ethoxyphenyl)-2-(5-fluoro-2-methylanilino)acetamide
CID 2516932
N-(3-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109039288
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 55892840
N-(2-ethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47882363
3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide
CID 109039232
3-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039788

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide (CID 109039314) is 3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCNc1ccc(C)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is HSWJEKYPHDWXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-3-23-17-7-5-4-6-16(17)21-18(22)10-11-20-14-9-8-13(2)15(19)12-14/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22).
What are the key properties of 3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide?
3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 377.28 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 109039314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).