2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide

C17H19BrN2O — CID 26437601

IUPAC2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C17H19BrN2O/c1-12-3-5-14(6-4-12)10-20-17(21)11-19-15-7-8-16(18)13(2)9-15/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyOXGFAUCLGOKUEM-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.79
Rot. Bonds5

About 2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide

2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 26437601) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID26437601
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C17H19BrN2O/c1-12-3-5-14(6-4-12)10-20-17(21)11-19-15-7-8-16(18)13(2)9-15/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyOXGFAUCLGOKUEM-UHFFFAOYSA-N
XLogP3.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999310
2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide
CID 60671753
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26437572
2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33161602
methyl 2-chloro-5-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 37230278
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26438618
N-[(4-methylphenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814826
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508863
2-(4-bromo-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 107573574

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide (CID 26437601) is 2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CNc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is OXGFAUCLGOKUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12-3-5-14(6-4-12)10-20-17(21)11-19-15-7-8-16(18)13(2)9-15/h3-9,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide?
2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 347.26 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 26437601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).