N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide

C17H16F2N2O2 — CID 108797375

IUPACN-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide
SMILESCCc1ccc(NC(C)=O)cc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2N2O2/c1-3-11-4-6-13(20-10(2)22)9-16(11)21-17(23)14-7-5-12(18)8-15(14)19/h4-9H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJPTDWVQBLHQYIX-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.74
Rot. Bonds4

About N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide

N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide (PubChem CID 108797375) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide
PubChem CID108797375
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide
SMILESCCc1ccc(NC(C)=O)cc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2N2O2/c1-3-11-4-6-13(20-10(2)22)9-16(11)21-17(23)14-7-5-12(18)8-15(14)19/h4-9H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJPTDWVQBLHQYIX-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-5-fluorophenyl)acetamide
CID 143900433
N-(5-acetamido-2-fluorophenyl)-4-fluoro-2-iodobenzamide
CID 55741246
N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide
CID 33307531
N-(2,6-diethylphenyl)-2,4-difluorobenzamide
CID 2495338
4-acetamido-N-(2-aminophenyl)-2-fluorobenzamide
CID 73055344
N-(5-acetamido-2-ethylphenyl)-2-methylpropanamide
CID 110459878
N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide
CID 39185204
N-(4-butylphenyl)-2,4-difluorobenzamide
CID 8961049
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087
N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide
CID 110475529
2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide
CID 70188641
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide?
The IUPAC name of N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide (CID 108797375) is N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide is CCc1ccc(NC(C)=O)cc1NC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide?
The InChIKey is JPTDWVQBLHQYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-3-11-4-6-13(20-10(2)22)9-16(11)21-17(23)14-7-5-12(18)8-15(14)19/h4-9H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide?
N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide has a molecular weight of 318.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 108797375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).