4-amino-2-(3-chloro-2-fluorophenoxy)benzamide

C13H10ClFN2O2 — CID 116688642

IUPAC4-amino-2-(3-chloro-2-fluorophenoxy)benzamide
SMILESNC(=O)c1ccc(N)cc1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H10ClFN2O2/c14-9-2-1-3-10(12(9)15)19-11-6-7(16)4-5-8(11)13(17)18/h1-6H,16H2,(H2,17,18)
InChIKeyZRXYAMUJENOJNJ-UHFFFAOYSA-N
MW280.69 g/mol
LogP2.95
Rot. Bonds3

About 4-amino-2-(3-chloro-2-fluorophenoxy)benzamide

4-amino-2-(3-chloro-2-fluorophenoxy)benzamide (PubChem CID 116688642) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 4-amino-2-(3-chloro-2-fluorophenoxy)benzamide.

Molecular Properties

Compound Name4-amino-2-(3-chloro-2-fluorophenoxy)benzamide
PubChem CID116688642
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name4-amino-2-(3-chloro-2-fluorophenoxy)benzamide
SMILESNC(=O)c1ccc(N)cc1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H10ClFN2O2/c14-9-2-1-3-10(12(9)15)19-11-6-7(16)4-5-8(11)13(17)18/h1-6H,16H2,(H2,17,18)
InChIKeyZRXYAMUJENOJNJ-UHFFFAOYSA-N
XLogP2.95
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(3-chloro-2-fluorophenoxy)benzamide
CID 116689745
methyl 5-amino-2-(3-chloro-2-fluorophenoxy)benzoate
CID 116689744
4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid
CID 107660000
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate
CID 67227707
4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 116689156
4-(3-chloro-2-fluorophenoxy)-3-(difluoromethyl)aniline
CID 116688566
4-(3-chloro-2-fluorophenoxy)-3-fluorobenzenecarbothioamide
CID 116689080
methyl 2-amino-5-(3-chloro-2-fluorophenoxy)benzoate
CID 116689734
4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide
CID 79407435
2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline
CID 116688655
2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde
CID 116689347

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-chloro-2-fluorophenoxy)benzamide?
The IUPAC name of 4-amino-2-(3-chloro-2-fluorophenoxy)benzamide (CID 116688642) is 4-amino-2-(3-chloro-2-fluorophenoxy)benzamide.
What is the SMILES notation for 4-amino-2-(3-chloro-2-fluorophenoxy)benzamide?
The canonical SMILES for 4-amino-2-(3-chloro-2-fluorophenoxy)benzamide is NC(=O)c1ccc(N)cc1Oc1cccc(Cl)c1F.
What is the InChIKey of 4-amino-2-(3-chloro-2-fluorophenoxy)benzamide?
The InChIKey is ZRXYAMUJENOJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c14-9-2-1-3-10(12(9)15)19-11-6-7(16)4-5-8(11)13(17)18/h1-6H,16H2,(H2,17,18).
What are the key properties of 4-amino-2-(3-chloro-2-fluorophenoxy)benzamide?
4-amino-2-(3-chloro-2-fluorophenoxy)benzamide has a molecular weight of 280.69 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-chloro-2-fluorophenoxy)benzamide is sourced from PubChem (CID 116688642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).