2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide

C18H17Cl2FN2O3 — CID 113180373

IUPAC2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1N(CC(=O)Nc1ccc(F)c(Cl)c1)C(C)=O
InChIInChI=1S/C18H17Cl2FN2O3/c1-10-6-16(17(26-3)8-13(10)19)23(11(2)24)9-18(25)22-12-4-5-15(21)14(20)7-12/h4-8H,9H2,1-3H3,(H,22,25)
InChIKeyLWDCUIIWFSXFJQ-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.44
Rot. Bonds5

About 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide

2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 113180373) has the molecular formula C18H17Cl2FN2O3 and a molecular weight of 399.25 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID113180373
Molecular FormulaC18H17Cl2FN2O3
Molecular Weight399.25 g/mol
Exact Mass398.06
IUPAC Name2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1N(CC(=O)Nc1ccc(F)c(Cl)c1)C(C)=O
InChIInChI=1S/C18H17Cl2FN2O3/c1-10-6-16(17(26-3)8-13(10)19)23(11(2)24)9-18(25)22-12-4-5-15(21)14(20)7-12/h4-8H,9H2,1-3H3,(H,22,25)
InChIKeyLWDCUIIWFSXFJQ-UHFFFAOYSA-N
XLogP4.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)acetamide
CID 113180390
2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113168163
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide
CID 113180389
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113181321
2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180172
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113129632
2-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113170889
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113172591
2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113181670
2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180038
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113180325
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113128810

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide (CID 113180373) is 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide is COc1cc(Cl)c(C)cc1N(CC(=O)Nc1ccc(F)c(Cl)c1)C(C)=O.
What is the InChIKey of 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is LWDCUIIWFSXFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O3/c1-10-6-16(17(26-3)8-13(10)19)23(11(2)24)9-18(25)22-12-4-5-15(21)14(20)7-12/h4-8H,9H2,1-3H3,(H,22,25).
What are the key properties of 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 399.25 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 113180373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).