3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide

C17H16F2N2O2 — CID 112992174

IUPAC3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCc1cccc(CNC(=O)CNC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H16F2N2O2/c1-11-3-2-4-12(7-11)9-20-16(22)10-21-17(23)13-5-6-14(18)15(19)8-13/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyUZKRSWLILFNTKN-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.32
Rot. Bonds5

About 3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide

3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 112992174) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID112992174
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCc1cccc(CNC(=O)CNC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H16F2N2O2/c1-11-3-2-4-12(7-11)9-20-16(22)10-21-17(23)13-5-6-14(18)15(19)8-13/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyUZKRSWLILFNTKN-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294554
2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294563
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 46651307
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide
CID 62681809
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992570
2-methyl-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992155
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
N-benzyl-3,4-difluorobenzamide
CID 1294460
N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide
CID 114302295

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide (CID 112992174) is 3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide is Cc1cccc(CNC(=O)CNC(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is UZKRSWLILFNTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-11-3-2-4-12(7-11)9-20-16(22)10-21-17(23)13-5-6-14(18)15(19)8-13/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide?
3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 318.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 112992174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).