N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide

C13H9Cl2FN2O — CID 16776319

IUPACN-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide
SMILESNc1cc(Cl)c(NC(=O)c2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C13H9Cl2FN2O/c14-10-5-9(17)6-11(15)12(10)18-13(19)7-2-1-3-8(16)4-7/h1-6H,17H2,(H,18,19)
InChIKeyBUEOTGDIGNTAMZ-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.97
Rot. Bonds2

About N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide

N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide (PubChem CID 16776319) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide
PubChem CID16776319
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide
SMILESNc1cc(Cl)c(NC(=O)c2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C13H9Cl2FN2O/c14-10-5-9(17)6-11(15)12(10)18-13(19)7-2-1-3-8(16)4-7/h1-6H,17H2,(H,18,19)
InChIKeyBUEOTGDIGNTAMZ-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 53.97
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

4-amino-N-(4-amino-2,6-dichlorophenyl)benzamide
CID 20565335
N-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide
CID 16775537
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 82885015
3-(chloromethyl)-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 83078751
3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 83076280
N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide
CID 54265719
4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide
CID 107075861
N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
CID 103479730
3-amino-4-fluoro-N-(2,4,6-trichlorophenyl)benzamide
CID 43436994
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-fluorobenzamide
CID 39186063
N-(4-amino-2,6-dichlorophenyl)-4-methoxybenzamide
CID 16774813
3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 82889682

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide (CID 16776319) is N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide is Nc1cc(Cl)c(NC(=O)c2cccc(F)c2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide?
The InChIKey is BUEOTGDIGNTAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c14-10-5-9(17)6-11(15)12(10)18-13(19)7-2-1-3-8(16)4-7/h1-6H,17H2,(H,18,19).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide?
N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide has a molecular weight of 299.13 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide is sourced from PubChem (CID 16776319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).