2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide

C18H18F2N2O2 — CID 113161524

IUPAC2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1F)Cc1ccccc1C
InChIInChI=1S/C18H18F2N2O2/c1-12-5-3-4-6-14(12)10-22(13(2)23)11-18(24)21-17-8-7-15(19)9-16(17)20/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyAVMAGIVJWHWXTG-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.26
Rot. Bonds5

About 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide

2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide (PubChem CID 113161524) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
PubChem CID113161524
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1F)Cc1ccccc1C
InChIInChI=1S/C18H18F2N2O2/c1-12-5-3-4-6-14(12)10-22(13(2)23)11-18(24)21-17-8-7-15(19)9-16(17)20/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyAVMAGIVJWHWXTG-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113162490
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119215
2-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167429
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113160935
2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113166624
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3,4-dimethylphenyl)acetamide
CID 113161451
2-(N-acetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167233
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113161478
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113162238
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113161458
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113163015
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113161495

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide (CID 113161524) is 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)cc1F)Cc1ccccc1C.
What is the InChIKey of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is AVMAGIVJWHWXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-12-5-3-4-6-14(12)10-22(13(2)23)11-18(24)21-17-8-7-15(19)9-16(17)20/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide?
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 332.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 113161524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).