3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide

C19H23BrN2O2 — CID 109025846

IUPAC3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCNc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C19H23BrN2O2/c1-14-13-16(5-8-18(14)20)21-12-10-19(23)22-11-9-15-3-6-17(24-2)7-4-15/h3-8,13,21H,9-12H2,1-2H3,(H,22,23)
InChIKeySDQAPMYICORMSI-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.93
Rot. Bonds8

About 3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide

3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 109025846) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID109025846
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCNc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C19H23BrN2O2/c1-14-13-16(5-8-18(14)20)21-12-10-19(23)22-11-9-15-3-6-17(24-2)7-4-15/h3-8,13,21H,9-12H2,1-2H3,(H,22,23)
InChIKeySDQAPMYICORMSI-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26437572
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818
3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025842
3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025785
3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025804
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide
CID 109025014
2-(4-bromo-2,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4021966
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
4-[2-(4-methoxyphenyl)ethylamino]-2-methylbenzamide
CID 71978056
N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948480
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 109025846) is 3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCNc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of 3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is SDQAPMYICORMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-14-13-16(5-8-18(14)20)21-12-10-19(23)22-11-9-15-3-6-17(24-2)7-4-15/h3-8,13,21H,9-12H2,1-2H3,(H,22,23).
What are the key properties of 3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 391.31 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 109025846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).