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

C14H10FN3O2 — CID 115935849

IUPAC3-amino-2-(4-cyano-3-fluorophenoxy)benzamide
SMILESN#Cc1ccc(Oc2c(N)cccc2C(N)=O)cc1F
InChIInChI=1S/C14H10FN3O2/c15-11-6-9(5-4-8(11)7-16)20-13-10(14(18)19)2-1-3-12(13)17/h1-6H,17H2,(H2,18,19)
InChIKeyRUICXEPLEQUHHQ-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.17
Rot. Bonds3

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

3-amino-2-(4-cyano-3-fluorophenoxy)benzamide (PubChem CID 115935849) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 3-amino-2-(4-cyano-3-fluorophenoxy)benzamide.

Molecular Properties

Compound Name3-amino-2-(4-cyano-3-fluorophenoxy)benzamide
PubChem CID115935849
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name3-amino-2-(4-cyano-3-fluorophenoxy)benzamide
SMILESN#Cc1ccc(Oc2c(N)cccc2C(N)=O)cc1F
InChIInChI=1S/C14H10FN3O2/c15-11-6-9(5-4-8(11)7-16)20-13-10(14(18)19)2-1-3-12(13)17/h1-6H,17H2,(H2,18,19)
InChIKeyRUICXEPLEQUHHQ-UHFFFAOYSA-N
XLogP2.17
TPSA102.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4-cyano-3-fluorophenoxy)benzamide
CID 115547365
4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide
CID 115499856
methyl 2-amino-3-(4-cyano-3-fluorophenoxy)benzoate
CID 115547363
3-amino-2-(3-tert-butylphenoxy)benzamide
CID 115935728
2-amino-6-[(4-cyano-3-fluorophenoxy)methyl]benzoic acid
CID 104825540
3-amino-2-(4-ethylphenoxy)benzamide
CID 112579580
4-[(5-amino-6-cyano-2-pyridinyl)oxy]-2-fluorobenzamide
CID 103469765
3-(2,6-dicyanophenoxy)benzamide
CID 86818071
4-(2-amino-3-methylphenoxy)-2-fluorobenzonitrile
CID 114041417
2-amino-3-(3,4-difluorophenoxy)benzamide
CID 113333318
3-amino-2-(2-bromo-5-fluorophenoxy)benzamide
CID 112579924
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-cyano-3-fluorophenoxy)benzamide?
The IUPAC name of 3-amino-2-(4-cyano-3-fluorophenoxy)benzamide (CID 115935849) is 3-amino-2-(4-cyano-3-fluorophenoxy)benzamide.
What is the SMILES notation for 3-amino-2-(4-cyano-3-fluorophenoxy)benzamide?
The canonical SMILES for 3-amino-2-(4-cyano-3-fluorophenoxy)benzamide is N#Cc1ccc(Oc2c(N)cccc2C(N)=O)cc1F.
What is the InChIKey of 3-amino-2-(4-cyano-3-fluorophenoxy)benzamide?
The InChIKey is RUICXEPLEQUHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-11-6-9(5-4-8(11)7-16)20-13-10(14(18)19)2-1-3-12(13)17/h1-6H,17H2,(H2,18,19).
What are the key properties of 3-amino-2-(4-cyano-3-fluorophenoxy)benzamide?
3-amino-2-(4-cyano-3-fluorophenoxy)benzamide has a molecular weight of 271.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-cyano-3-fluorophenoxy)benzamide is sourced from PubChem (CID 115935849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).