2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide

C18H18F2N2O2 — CID 24594478

IUPAC2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCc1ccccc1C(C)NC(=O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O2/c1-11-5-3-4-6-14(11)12(2)22-17(23)10-21-18(24)15-8-7-13(19)9-16(15)20/h3-9,12H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKMELUCIPWXSKOU-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.88
Rot. Bonds5

About 2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide

2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 24594478) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID24594478
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCc1ccccc1C(C)NC(=O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O2/c1-11-5-3-4-6-14(11)12(2)22-17(23)10-21-18(24)15-8-7-13(19)9-16(15)20/h3-9,12H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKMELUCIPWXSKOU-UHFFFAOYSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 51164454
N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 26752505
N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 24594828
2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 79770895
N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 42910539
N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 41037701
4-fluoro-2-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 107015172
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 26661170
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
propan-2-yl 3-[[2-[(2,4-difluorobenzoyl)amino]acetyl]amino]-3-(2-nitrophenyl)propanoate
CID 55494796
2-(2-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18082306

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide (CID 24594478) is 2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide is Cc1ccccc1C(C)NC(=O)CNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is KMELUCIPWXSKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-11-5-3-4-6-14(11)12(2)22-17(23)10-21-18(24)15-8-7-13(19)9-16(15)20/h3-9,12H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide?
2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 332.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24594478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).