5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide

C14H11F3N2O — CID 61090590

IUPAC5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(N)c(F)cc2F)cc1F
InChIInChI=1S/C14H11F3N2O/c1-7-2-3-8(4-10(7)15)19-14(20)9-5-13(18)12(17)6-11(9)16/h2-6H,18H2,1H3,(H,19,20)
InChIKeyKZHDBUPDCISJAG-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.25
Rot. Bonds2

About 5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide

5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide (PubChem CID 61090590) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide
PubChem CID61090590
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(N)c(F)cc2F)cc1F
InChIInChI=1S/C14H11F3N2O/c1-7-2-3-8(4-10(7)15)19-14(20)9-5-13(18)12(17)6-11(9)16/h2-6H,18H2,1H3,(H,19,20)
InChIKeyKZHDBUPDCISJAG-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2,4-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699288
2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 43245678
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide
CID 61092080
5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide
CID 61092438
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylpyridine-3-carboxamide
CID 54914178
4-amino-N-(3-fluoro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61090591
5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide
CID 65474617
N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide
CID 24700004
2-chloro-N-(3-fluoro-4-methylphenyl)-5-hydroxybenzamide
CID 106501312
2,5-dibromo-N-(3-fluoro-4-methylphenyl)benzamide
CID 114369991

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide (CID 61090590) is 5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cc(N)c(F)cc2F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide?
The InChIKey is KZHDBUPDCISJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-7-2-3-8(4-10(7)15)19-14(20)9-5-13(18)12(17)6-11(9)16/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide?
5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide has a molecular weight of 280.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 61090590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).