2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide

C18H17Cl2N3O3 — CID 113176021

IUPAC2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide
SMILESCC(=O)Nc1ccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)C(C)=O)cc1
InChIInChI=1S/C18H17Cl2N3O3/c1-11(24)21-15-3-5-17(6-4-15)23(12(2)25)10-18(26)22-16-8-13(19)7-14(20)9-16/h3-9H,10H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyKENOEEFHNIVWAG-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.94
Rot. Bonds5

About 2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide

2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide (PubChem CID 113176021) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is 2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide
PubChem CID113176021
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC Name2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide
SMILESCC(=O)Nc1ccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)C(C)=O)cc1
InChIInChI=1S/C18H17Cl2N3O3/c1-11(24)21-15-3-5-17(6-4-15)23(12(2)25)10-18(26)22-16-8-13(19)7-14(20)9-16/h3-9H,10H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyKENOEEFHNIVWAG-UHFFFAOYSA-N
XLogP3.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-methoxyanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113173660
2-(N-acetyl-3,4-dimethylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113168414
N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
CID 113176781
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113175968
2-(4-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175959
2-(N-acetyl-4-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 113171584
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide
CID 113168546
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113175984
2-(4-acetamido-N-acetylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113175991

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide (CID 113176021) is 2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide is CC(=O)Nc1ccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)C(C)=O)cc1.
What is the InChIKey of 2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is KENOEEFHNIVWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c1-11(24)21-15-3-5-17(6-4-15)23(12(2)25)10-18(26)22-16-8-13(19)7-14(20)9-16/h3-9H,10H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of 2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide?
2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 394.26 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 113176021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).