5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide

C15H15FN2O2 — CID 61117897

IUPAC5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide
SMILESCOc1cc(C)ccc1NC(=O)c1cc(N)ccc1F
InChIInChI=1S/C15H15FN2O2/c1-9-3-6-13(14(7-9)20-2)18-15(19)11-8-10(17)4-5-12(11)16/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyDXVCDOGSKRTLRA-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.98
Rot. Bonds3

About 5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide

5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide (PubChem CID 61117897) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide
PubChem CID61117897
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide
SMILESCOc1cc(C)ccc1NC(=O)c1cc(N)ccc1F
InChIInChI=1S/C15H15FN2O2/c1-9-3-6-13(14(7-9)20-2)18-15(19)11-8-10(17)4-5-12(11)16/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyDXVCDOGSKRTLRA-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.98
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

4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117425
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63183956
N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 62515870
5-amino-N-(2-bromo-4-chlorophenyl)-2-methoxybenzamide
CID 81262169
5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide
CID 82013560
N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide
CID 26881977
4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 61117898
N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide
CID 16790725
2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
CID 103853431
N-(4-amino-2-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 16773170

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide (CID 61117897) is 5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide is COc1cc(C)ccc1NC(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide?
The InChIKey is DXVCDOGSKRTLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-3-6-13(14(7-9)20-2)18-15(19)11-8-10(17)4-5-12(11)16/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide?
5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide has a molecular weight of 274.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide is sourced from PubChem (CID 61117897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).