2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide

C13H9ClF2N2O — CID 115539928

IUPAC2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H9ClF2N2O/c14-11-3-1-2-10(12(11)17)13(19)18-9-5-7(15)4-8(16)6-9/h1-6H,17H2,(H,18,19)
InChIKeyIRPSIYYVHIWBOY-UHFFFAOYSA-N
MW282.68 g/mol
LogP3.45
Rot. Bonds2

About 2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide

2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide (PubChem CID 115539928) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
PubChem CID115539928
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H9ClF2N2O/c14-11-3-1-2-10(12(11)17)13(19)18-9-5-7(15)4-8(16)6-9/h1-6H,17H2,(H,18,19)
InChIKeyIRPSIYYVHIWBOY-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 53.45
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

2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide
CID 115540640
2-amino-3-chloro-N-(3-iodophenyl)benzamide
CID 113331655
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942
2-amino-3-chloro-N-(4-methylsulfanylphenyl)benzamide
CID 115539964
2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 107624293
2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 115539984
2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide
CID 61132724
2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 115539982
2,3-dichloro-N-(3-fluorophenyl)benzamide
CID 802685
2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 16783519
2-amino-N-carbamoyl-3-chlorobenzamide
CID 82547464
2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 115540011

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide (CID 115539928) is 2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide is Nc1c(Cl)cccc1C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide?
The InChIKey is IRPSIYYVHIWBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-11-3-1-2-10(12(11)17)13(19)18-9-5-7(15)4-8(16)6-9/h1-6H,17H2,(H,18,19).
What are the key properties of 2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide?
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide has a molecular weight of 282.68 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide is sourced from PubChem (CID 115539928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).