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

C16H17BrN2O2 — CID 9099476

IUPAC2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CNc1ccc(Br)c(C)c1
InChIInChI=1S/C16H17BrN2O2/c1-11-9-12(7-8-13(11)17)18-10-16(20)19-14-5-3-4-6-15(14)21-2/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyQKPPCZBAQBJAGI-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.82
Rot. Bonds5

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

2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide (PubChem CID 9099476) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
PubChem CID9099476
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CNc1ccc(Br)c(C)c1
InChIInChI=1S/C16H17BrN2O2/c1-11-9-12(7-8-13(11)17)18-10-16(20)19-14-5-3-4-6-15(14)21-2/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyQKPPCZBAQBJAGI-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-(difluoromethoxy)phenyl]acetamide
CID 9099494
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009599
2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508863
2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9099453
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099923
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43826278
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid
CID 2329032
2-(5-bromo-2-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 87030481
3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842326

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide (CID 9099476) is 2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CNc1ccc(Br)c(C)c1.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide?
The InChIKey is QKPPCZBAQBJAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-9-12(7-8-13(11)17)18-10-16(20)19-14-5-3-4-6-15(14)21-2/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide?
2-(4-bromo-3-methylanilino)-N-(2-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-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 9099476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).