2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide

C18H18ClFN2O2 — CID 113168163

IUPAC2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1cc(C)ccc1C
InChIInChI=1S/C18H18ClFN2O2/c1-11-4-5-12(2)17(8-11)22(13(3)23)10-18(24)21-14-6-7-16(20)15(19)9-14/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyWBBYSCBMKZQLNH-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.09
Rot. Bonds4

About 2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide

2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 113168163) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID113168163
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1cc(C)ccc1C
InChIInChI=1S/C18H18ClFN2O2/c1-11-4-5-12(2)17(8-11)22(13(3)23)10-18(24)21-14-6-7-16(20)15(19)9-14/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyWBBYSCBMKZQLNH-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-5-chloro-2-methylanilino)-N-(4-methylphenyl)acetamide
CID 113171908
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113172591
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-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113168161
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180373
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-2,5-dimethylanilino)-N-phenylacetamide
CID 113168130
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113129632
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123651
2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 113172074

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide (CID 113168163) is 2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1cc(C)ccc1C.
What is the InChIKey of 2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is WBBYSCBMKZQLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-11-4-5-12(2)17(8-11)22(13(3)23)10-18(24)21-14-6-7-16(20)15(19)9-14/h4-9H,10H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide?
2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 348.81 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 113168163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).