2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide

C18H17ClFN3O3 — CID 113175826

IUPAC2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)Nc1cccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)C(C)=O)c1
InChIInChI=1S/C18H17ClFN3O3/c1-11(24)21-13-4-3-5-15(8-13)23(12(2)25)10-18(26)22-14-6-7-17(20)16(19)9-14/h3-9H,10H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyAJRSEQKUZWQCPH-UHFFFAOYSA-N
MW377.80 g/mol
LogP3.43
Rot. Bonds5

About 2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide

2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 113175826) has the molecular formula C18H17ClFN3O3 and a molecular weight of 377.80 g/mol. Its IUPAC name is 2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID113175826
Molecular FormulaC18H17ClFN3O3
Molecular Weight377.80 g/mol
Exact Mass377.09
IUPAC Name2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)Nc1cccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)C(C)=O)c1
InChIInChI=1S/C18H17ClFN3O3/c1-11(24)21-13-4-3-5-15(8-13)23(12(2)25)10-18(26)22-14-6-7-17(20)16(19)9-14/h3-9H,10H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyAJRSEQKUZWQCPH-UHFFFAOYSA-N
XLogP3.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180172
2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180038
2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175802
N-(4-acetamidophenyl)-2-(N-acetyl-3-fluoroanilino)acetamide
CID 113177708
2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113181670
3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113132453
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123846
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113181321
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide
CID 113172443
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113172454
2-(N-acetyl-4-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 113171584

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide (CID 113175826) is 2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide is CC(=O)Nc1cccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)C(C)=O)c1.
What is the InChIKey of 2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is AJRSEQKUZWQCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O3/c1-11(24)21-13-4-3-5-15(8-13)23(12(2)25)10-18(26)22-14-6-7-17(20)16(19)9-14/h3-9H,10H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of 2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 377.80 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 113175826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).