3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide

C13H9ClF2N2O — CID 79772724

IUPAC3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
SMILESNc1ccc(F)c(C(=O)Nc2ccc(Cl)cc2)c1F
InChIInChI=1S/C13H9ClF2N2O/c14-7-1-3-8(4-2-7)18-13(19)11-9(15)5-6-10(17)12(11)16/h1-6H,17H2,(H,18,19)
InChIKeyLUSHVXHMHVUPRP-UHFFFAOYSA-N
MW282.68 g/mol
LogP3.45
Rot. Bonds2

About 3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide

3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide (PubChem CID 79772724) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
PubChem CID79772724
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
SMILESNc1ccc(F)c(C(=O)Nc2ccc(Cl)cc2)c1F
InChIInChI=1S/C13H9ClF2N2O/c14-7-1-3-8(4-2-7)18-13(19)11-9(15)5-6-10(17)12(11)16/h1-6H,17H2,(H,18,19)
InChIKeyLUSHVXHMHVUPRP-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

3-amino-N-(4-ethylphenyl)-2,6-difluorobenzamide
CID 79773210
3-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzamide
CID 79773214
3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide
CID 79773668
3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 79773151
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
N-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide
CID 146866561
3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79772979
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
CID 104616117
2,3,6-trichloro-N-(4-chlorophenyl)benzamide
CID 19171109
1-(3-amino-2,6-difluorophenyl)-2-chloroethanone
CID 171017114

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide?
The IUPAC name of 3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide (CID 79772724) is 3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide?
The canonical SMILES for 3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide is Nc1ccc(F)c(C(=O)Nc2ccc(Cl)cc2)c1F.
What is the InChIKey of 3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide?
The InChIKey is LUSHVXHMHVUPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-7-1-3-8(4-2-7)18-13(19)11-9(15)5-6-10(17)12(11)16/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide?
3-amino-N-(4-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 3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 79772724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).