N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide

C17H16F2N2O2 — CID 24681848

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide
SMILESCc1cccc(NC(=O)CNC(=O)c2cc(F)ccc2F)c1C
InChIInChI=1S/C17H16F2N2O2/c1-10-4-3-5-15(11(10)2)21-16(22)9-20-17(23)13-8-12(18)6-7-14(13)19/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYPJQXRSIWTWONS-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.95
Rot. Bonds4

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide (PubChem CID 24681848) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide
PubChem CID24681848
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide
SMILESCc1cccc(NC(=O)CNC(=O)c2cc(F)ccc2F)c1C
InChIInChI=1S/C17H16F2N2O2/c1-10-4-3-5-15(11(10)2)21-16(22)9-20-17(23)13-8-12(18)6-7-14(13)19/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYPJQXRSIWTWONS-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 26661170
2-(2,5-difluoroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 42069511
2,4-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 9342302
N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide
CID 24681937
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
CID 24695663
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9369126
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24604792
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 7228913
N-(2,3-dimethylphenyl)-2-[[2-(2-fluorophenoxy)acetyl]amino]acetamide
CID 7501086
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26682013

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide (CID 24681848) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide is Cc1cccc(NC(=O)CNC(=O)c2cc(F)ccc2F)c1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide?
The InChIKey is YPJQXRSIWTWONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-10-4-3-5-15(11(10)2)21-16(22)9-20-17(23)13-8-12(18)6-7-14(13)19/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide has a molecular weight of 318.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide is sourced from PubChem (CID 24681848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).