N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide

C18H18ClN3O3 — CID 113171239

IUPACN-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C(C)=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-12(23)20-14-7-9-15(10-8-14)21-18(25)11-22(13(2)24)17-6-4-3-5-16(17)19/h3-10H,11H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyKBFMBDKUYYUPSD-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.29
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide

N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide (PubChem CID 113171239) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide
PubChem CID113171239
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C(C)=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-12(23)20-14-7-9-15(10-8-14)21-18(25)11-22(13(2)24)17-6-4-3-5-16(17)19/h3-10H,11H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyKBFMBDKUYYUPSD-UHFFFAOYSA-N
XLogP3.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2,3-dichloroanilino)-N-(4-chlorophenyl)acetamide
CID 113180167
2-(N-acetyl-2,3-dichloroanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113180150
2-(N-acetyl-2-fluoroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 113170882
2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113180171
N-(4-acetamidophenyl)-2-(N-acetyl-2-ethoxyanilino)acetamide
CID 113173812
2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180172
2-(N-acetyl-2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113171195
2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide
CID 113169682
2-(N-acetyl-2-ethylanilino)-N-phenylacetamide
CID 113169100
methyl 2-[acetyl-[2-(3,4-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 113176174
2-(N-acetyl-2-chloroanilino)-N-(2-methylpropyl)acetamide
CID 113171103
2-(N-acetyl-2,3-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 113180204

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide (CID 113171239) is N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide is CC(=O)Nc1ccc(NC(=O)CN(C(C)=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide?
The InChIKey is KBFMBDKUYYUPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-12(23)20-14-7-9-15(10-8-14)21-18(25)11-22(13(2)24)17-6-4-3-5-16(17)19/h3-10H,11H2,1-2H3,(H,20,23)(H,21,25).
What are the key properties of N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide?
N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide has a molecular weight of 359.81 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide is sourced from PubChem (CID 113171239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).