3-amino-4-fluoro-2-methoxy-5-phenylbenzamide

C14H13FN2O2 — CID 86097500

IUPAC3-amino-4-fluoro-2-methoxy-5-phenylbenzamide
SMILESCOc1c(C(N)=O)cc(-c2ccccc2)c(F)c1N
InChIInChI=1S/C14H13FN2O2/c1-19-13-10(14(17)18)7-9(11(15)12(13)16)8-5-3-2-4-6-8/h2-7H,16H2,1H3,(H2,17,18)
InChIKeySYGNEZYNLSGCNF-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.18
Rot. Bonds3

About 3-amino-4-fluoro-2-methoxy-5-phenylbenzamide

3-amino-4-fluoro-2-methoxy-5-phenylbenzamide (PubChem CID 86097500) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-amino-4-fluoro-2-methoxy-5-phenylbenzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-2-methoxy-5-phenylbenzamide
PubChem CID86097500
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name3-amino-4-fluoro-2-methoxy-5-phenylbenzamide
SMILESCOc1c(C(N)=O)cc(-c2ccccc2)c(F)c1N
InChIInChI=1S/C14H13FN2O2/c1-19-13-10(14(17)18)7-9(11(15)12(13)16)8-5-3-2-4-6-8/h2-7H,16H2,1H3,(H2,17,18)
InChIKeySYGNEZYNLSGCNF-UHFFFAOYSA-N
XLogP2.18
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-2-methoxy-5-phenylbenzamide?
The IUPAC name of 3-amino-4-fluoro-2-methoxy-5-phenylbenzamide (CID 86097500) is 3-amino-4-fluoro-2-methoxy-5-phenylbenzamide.
What is the SMILES notation for 3-amino-4-fluoro-2-methoxy-5-phenylbenzamide?
The canonical SMILES for 3-amino-4-fluoro-2-methoxy-5-phenylbenzamide is COc1c(C(N)=O)cc(-c2ccccc2)c(F)c1N.
What is the InChIKey of 3-amino-4-fluoro-2-methoxy-5-phenylbenzamide?
The InChIKey is SYGNEZYNLSGCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-19-13-10(14(17)18)7-9(11(15)12(13)16)8-5-3-2-4-6-8/h2-7H,16H2,1H3,(H2,17,18).
What are the key properties of 3-amino-4-fluoro-2-methoxy-5-phenylbenzamide?
3-amino-4-fluoro-2-methoxy-5-phenylbenzamide has a molecular weight of 260.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-2-methoxy-5-phenylbenzamide is sourced from PubChem (CID 86097500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).