2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide

C18H17Cl2FN2O2 — CID 113172591

IUPAC2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C18H17Cl2FN2O2/c1-10-6-11(2)18(15(20)7-10)23(12(3)24)9-17(25)22-13-4-5-16(21)14(19)8-13/h4-8H,9H2,1-3H3,(H,22,25)
InChIKeyYOGYWQURXUPFSC-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.74
Rot. Bonds4

About 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide

2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 113172591) has the molecular formula C18H17Cl2FN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID113172591
Molecular FormulaC18H17Cl2FN2O2
Molecular Weight383.25 g/mol
Exact Mass382.07
IUPAC Name2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C18H17Cl2FN2O2/c1-10-6-11(2)18(15(20)7-10)23(12(3)24)9-17(25)22-13-4-5-16(21)14(19)8-13/h4-8H,9H2,1-3H3,(H,22,25)
InChIKeyYOGYWQURXUPFSC-UHFFFAOYSA-N
XLogP4.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180038
2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113168163
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113172625
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
2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113181670
2-(N-acetyl-2,4,6-trimethylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113170075
2-(N-acetyl-2,4,6-trimethylanilino)-N-(4-methylphenyl)acetamide
CID 113170003
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180373
2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113175826
2-(N-acetyl-2,6-dimethylanilino)-N-(3,4-dichlorophenyl)acetamide
CID 113168799
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113135432

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide (CID 113172591) is 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1c(C)cc(C)cc1Cl.
What is the InChIKey of 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is YOGYWQURXUPFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O2/c1-10-6-11(2)18(15(20)7-10)23(12(3)24)9-17(25)22-13-4-5-16(21)14(19)8-13/h4-8H,9H2,1-3H3,(H,22,25).
What are the key properties of 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 383.25 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 113172591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).