2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide

C17H15ClF2N2O2 — CID 113171824

IUPAC2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1cccc(Cl)c1C
InChIInChI=1S/C17H15ClF2N2O2/c1-10-13(18)4-3-5-16(10)22(11(2)23)9-17(24)21-12-6-7-14(19)15(20)8-12/h3-8H,9H2,1-2H3,(H,21,24)
InChIKeyYKBRZHIWACEVPT-UHFFFAOYSA-N
MW352.77 g/mol
LogP3.92
Rot. Bonds4

About 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide

2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide (PubChem CID 113171824) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
PubChem CID113171824
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Name2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1cccc(Cl)c1C
InChIInChI=1S/C17H15ClF2N2O2/c1-10-13(18)4-3-5-16(10)22(11(2)23)9-17(24)21-12-6-7-14(19)15(20)8-12/h3-8H,9H2,1-2H3,(H,21,24)
InChIKeyYKBRZHIWACEVPT-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127656
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113171770
2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180172
2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113169203
2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113180171
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113171767
2-(N-acetyl-2,3-dichloroanilino)-N-(4-chlorophenyl)acetamide
CID 113180167
2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180038
2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113169742
2-(N-acetyl-2-fluoroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 113170882
3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113125150
methyl 3-[acetyl-[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-4-chlorobenzoate
CID 113176577

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide (CID 113171824) is 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1cccc(Cl)c1C.
What is the InChIKey of 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is YKBRZHIWACEVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c1-10-13(18)4-3-5-16(10)22(11(2)23)9-17(24)21-12-6-7-14(19)15(20)8-12/h3-8H,9H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide?
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 352.77 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 113171824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).