3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide

C13H9F3N2O — CID 150244858

IUPAC3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide
SMILESNc1cccc(C(=O)Nc2ccc(F)c(F)c2)c1F
InChIInChI=1S/C13H9F3N2O/c14-9-5-4-7(6-10(9)15)18-13(19)8-2-1-3-11(17)12(8)16/h1-6H,17H2,(H,18,19)
InChIKeyFYHKXUFTOFUIEZ-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.94
Rot. Bonds2

About 3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide

3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide (PubChem CID 150244858) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide
PubChem CID150244858
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide
SMILESNc1cccc(C(=O)Nc2ccc(F)c(F)c2)c1F
InChIInChI=1S/C13H9F3N2O/c14-9-5-4-7(6-10(9)15)18-13(19)8-2-1-3-11(17)12(8)16/h1-6H,17H2,(H,18,19)
InChIKeyFYHKXUFTOFUIEZ-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.94
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

N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide
CID 107948876
2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide
CID 63660522
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide
CID 62811033
N-(4-amino-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343222
N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
CID 81453774
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81481979
3-amino-5-bromo-N-(3,4-difluorophenyl)-2-methylbenzamide
CID 107872055
N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 82861951
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide?
The IUPAC name of 3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide (CID 150244858) is 3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide?
The canonical SMILES for 3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide is Nc1cccc(C(=O)Nc2ccc(F)c(F)c2)c1F.
What is the InChIKey of 3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide?
The InChIKey is FYHKXUFTOFUIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-9-5-4-7(6-10(9)15)18-13(19)8-2-1-3-11(17)12(8)16/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide?
3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide has a molecular weight of 266.22 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 150244858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).