2-amino-4,5-difluorobenzamide

C7H6F2N2O — CID 16640510

IUPAC2-amino-4,5-difluorobenzamide
SMILESNC(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C7H6F2N2O/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H2,11,12)
InChIKeyJFMDZCSBKULXCB-UHFFFAOYSA-N
MW172.13 g/mol
LogP0.65
Rot. Bonds1

About 2-amino-4,5-difluorobenzamide

2-amino-4,5-difluorobenzamide (PubChem CID 16640510) has the molecular formula C7H6F2N2O and a molecular weight of 172.13 g/mol. Its IUPAC name is 2-amino-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-amino-4,5-difluorobenzamide
PubChem CID16640510
Molecular FormulaC7H6F2N2O
Molecular Weight172.13 g/mol
Exact Mass172.04
IUPAC Name2-amino-4,5-difluorobenzamide
SMILESNC(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C7H6F2N2O/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H2,11,12)
InChIKeyJFMDZCSBKULXCB-UHFFFAOYSA-N
XLogP0.65
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-4,5-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid
CID 158167463
(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477775
4-amino-5-fluoro-2-(trifluoromethyl)benzamide
CID 118823151
2-amino-4,5-bis(fluoromethyl)benzamide
CID 90872088
2-(2-amino-4,5-difluorophenyl)-2-methyliminoacetic acid
CID 153001758
4-amino-5-fluoro-2-methoxybenzamide
CID 124706175
propan-2-yl 2-amino-4,5-difluorobenzoate
CID 60835801
2-carbamoyl-4,5-difluorobenzenesulfonic acid
CID 157144700
(2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210575
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-4-fluorobenzamide
CID 113336035
2-amino-4-fluoro-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide
CID 79386344
2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 62810133

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-difluorobenzamide?
The IUPAC name of 2-amino-4,5-difluorobenzamide (CID 16640510) is 2-amino-4,5-difluorobenzamide.
What is the SMILES notation for 2-amino-4,5-difluorobenzamide?
The canonical SMILES for 2-amino-4,5-difluorobenzamide is NC(=O)c1cc(F)c(F)cc1N.
What is the InChIKey of 2-amino-4,5-difluorobenzamide?
The InChIKey is JFMDZCSBKULXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H2,11,12).
What are the key properties of 2-amino-4,5-difluorobenzamide?
2-amino-4,5-difluorobenzamide has a molecular weight of 172.13 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-difluorobenzamide is sourced from PubChem (CID 16640510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).