N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide

C13H9ClF2N2O — CID 43548813

IUPACN-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide
SMILESNc1ccc(Cl)c(NC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C13H9ClF2N2O/c14-8-5-4-7(17)6-11(8)18-13(19)12-9(15)2-1-3-10(12)16/h1-6H,17H2,(H,18,19)
InChIKeyDMFFYHUHUOILFK-UHFFFAOYSA-N
MW282.68 g/mol
LogP3.45
Rot. Bonds2

About N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide

N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide (PubChem CID 43548813) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide
PubChem CID43548813
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC NameN-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide
SMILESNc1ccc(Cl)c(NC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C13H9ClF2N2O/c14-8-5-4-7(17)6-11(8)18-13(19)12-9(15)2-1-3-10(12)16/h1-6H,17H2,(H,18,19)
InChIKeyDMFFYHUHUOILFK-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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832
N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 64950063
(5-amino-2-chlorophenyl)carbamic acid
CID 57203171
N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide
CID 79214714
N-(5-amino-2-chlorophenyl)-2-methylbenzamide
CID 28866784
5-amino-N-(2-chlorophenyl)-2-fluorobenzamide
CID 43510734
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide
CID 114367682

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide (CID 43548813) is N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide is Nc1ccc(Cl)c(NC(=O)c2c(F)cccc2F)c1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide?
The InChIKey is DMFFYHUHUOILFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-8-5-4-7(17)6-11(8)18-13(19)12-9(15)2-1-3-10(12)16/h1-6H,17H2,(H,18,19).
What are the key properties of N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide?
N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide 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 N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 43548813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).