N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide

C13H9ClF2N2O — CID 81453774

IUPACN-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
SMILESNc1cc(NC(=O)c2cccc(F)c2Cl)ccc1F
InChIInChI=1S/C13H9ClF2N2O/c14-12-8(2-1-3-10(12)16)13(19)18-7-4-5-9(15)11(17)6-7/h1-6H,17H2,(H,18,19)
InChIKeyDZWGOAASMWYKAX-UHFFFAOYSA-N
MW282.68 g/mol
LogP3.45
Rot. Bonds2

About N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide

N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide (PubChem CID 81453774) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
PubChem CID81453774
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC NameN-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
SMILESNc1cc(NC(=O)c2cccc(F)c2Cl)ccc1F
InChIInChI=1S/C13H9ClF2N2O/c14-12-8(2-1-3-10(12)16)13(19)18-7-4-5-9(15)11(17)6-7/h1-6H,17H2,(H,18,19)
InChIKeyDZWGOAASMWYKAX-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-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
CID 81454097
N-(4-amino-3-bromophenyl)-2-chloro-3-fluorobenzamide
CID 82862154
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 79039798
2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide
CID 81461664
2-amino-N-(3-chlorophenyl)-3-fluorobenzamide
CID 62650234
2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
CID 79035948
N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide
CID 81454782
N-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide
CID 24692855
N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide
CID 82861957
3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 150244858
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide (CID 81453774) is N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide is Nc1cc(NC(=O)c2cccc(F)c2Cl)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide?
The InChIKey is DZWGOAASMWYKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-12-8(2-1-3-10(12)16)13(19)18-7-4-5-9(15)11(17)6-7/h1-6H,17H2,(H,18,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide?
N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide 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-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide is sourced from PubChem (CID 81453774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).