2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide

C18H16ClN3O2 — CID 113172320

IUPAC2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H16ClN3O2/c1-12-6-7-16(9-17(12)19)22(13(2)23)11-18(24)21-15-5-3-4-14(8-15)10-20/h3-9H,11H2,1-2H3,(H,21,24)
InChIKeyYTXCWENKTXEWJI-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.51
Rot. Bonds4

About 2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide

2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide (PubChem CID 113172320) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide
PubChem CID113172320
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H16ClN3O2/c1-12-6-7-16(9-17(12)19)22(13(2)23)11-18(24)21-15-5-3-4-14(8-15)10-20/h3-9H,11H2,1-2H3,(H,21,24)
InChIKeyYTXCWENKTXEWJI-UHFFFAOYSA-N
XLogP3.51
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide
CID 113176810
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide
CID 113180389
3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide
CID 113133827
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113168356
2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide
CID 113168034
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 113172264
2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113181670
2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide
CID 113177261
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172270
methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate
CID 113172297
2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113180933

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide (CID 113172320) is 2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide?
The InChIKey is YTXCWENKTXEWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-6-7-16(9-17(12)19)22(13(2)23)11-18(24)21-15-5-3-4-14(8-15)10-20/h3-9H,11H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide?
2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide has a molecular weight of 341.80 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 113172320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).