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

C18H16BrN3O2 — CID 113178206

IUPAC2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C#N)c1ccc(Br)c(C)c1
InChIInChI=1S/C18H16BrN3O2/c1-12-9-15(7-8-16(12)19)22(13(2)23)11-18(24)21-17-6-4-3-5-14(17)10-20/h3-9H,11H2,1-2H3,(H,21,24)
InChIKeyNKHWAHPEPRUEQC-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.62
Rot. Bonds4

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

2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide (PubChem CID 113178206) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide
PubChem CID113178206
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C#N)c1ccc(Br)c(C)c1
InChIInChI=1S/C18H16BrN3O2/c1-12-9-15(7-8-16(12)19)22(13(2)23)11-18(24)21-17-6-4-3-5-14(17)10-20/h3-9H,11H2,1-2H3,(H,21,24)
InChIKeyNKHWAHPEPRUEQC-UHFFFAOYSA-N
XLogP3.62
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-cyanophenyl)acetamide
CID 113173097
2-(N-acetyl-3,4-dimethylanilino)-N-(2-cyanophenyl)acetamide
CID 113168421
2-(N-acetyl-4-bromoanilino)-N-(2-cyanophenyl)acetamide
CID 113173018
2-(N-acetyl-4-chloroanilino)-N-(2-cyanophenyl)acetamide
CID 113171651
2-(N-acetyl-4-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113171090
2-(N-acetyl-3-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113177751
2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide
CID 113177507
2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide
CID 113169003
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(2-cyanophenyl)acetamide
CID 113179180
2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113181547
2-(N-acetyl-4-bromo-3-methylanilino)-N-(3-fluorophenyl)acetamide
CID 113178204
2-(N-acetyl-3-bromo-4-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 113173092

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide (CID 113178206) is 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1C#N)c1ccc(Br)c(C)c1.
What is the InChIKey of 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide?
The InChIKey is NKHWAHPEPRUEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-12-9-15(7-8-16(12)19)22(13(2)23)11-18(24)21-17-6-4-3-5-14(17)10-20/h3-9H,11H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide?
2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide has a molecular weight of 386.25 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 113178206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).