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

C17H19ClN2O — CID 26417831

IUPAC2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-12-3-6-14(7-4-12)10-20-17(21)11-19-16-8-5-13(2)9-15(16)18/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyIHIXFYINZAHYAS-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.69
Rot. Bonds5

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

2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 26417831) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID26417831
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-12-3-6-14(7-4-12)10-20-17(21)11-19-16-8-5-13(2)9-15(16)18/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyIHIXFYINZAHYAS-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33164412
2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 26437643
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-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide
CID 26507654
2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide
CID 42026444
2-(2-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099362
2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54811586
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
N-(2,4-dichlorophenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 19164034
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide (CID 26417831) is 2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CNc2ccc(C)cc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is IHIXFYINZAHYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-3-6-14(7-4-12)10-20-17(21)11-19-16-8-5-13(2)9-15(16)18/h3-9,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide?
2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 302.81 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 26417831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).