2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide

C16H17BrN2O2 — CID 9099464

IUPAC2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11-9-13(5-8-15(11)17)18-10-16(20)19-12-3-6-14(21-2)7-4-12/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyGVGXSQCAUZJUPT-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.82
Rot. Bonds5

About 2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide

2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide (PubChem CID 9099464) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
PubChem CID9099464
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11-9-13(5-8-15(11)17)18-10-16(20)19-12-3-6-14(21-2)7-4-12/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyGVGXSQCAUZJUPT-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.82
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
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508863
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 1010190
2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009815
2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 9099476
2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide
CID 107598910
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833198
2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 9079994

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide (CID 9099464) is 2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CNc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide?
The InChIKey is GVGXSQCAUZJUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-9-13(5-8-15(11)17)18-10-16(20)19-12-3-6-14(21-2)7-4-12/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide?
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9099464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).