N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide

C15H15FN2O3 — CID 103805146

IUPACN-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC)c(N)c2)c(F)c1
InChIInChI=1S/C15H15FN2O3/c1-20-10-4-5-11(12(16)8-10)15(19)18-9-3-6-14(21-2)13(17)7-9/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyJCGDXYHREPEJCM-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.68
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide

N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide (PubChem CID 103805146) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide
PubChem CID103805146
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC)c(N)c2)c(F)c1
InChIInChI=1S/C15H15FN2O3/c1-20-10-4-5-11(12(16)8-10)15(19)18-9-3-6-14(21-2)13(17)7-9/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyJCGDXYHREPEJCM-UHFFFAOYSA-N
XLogP2.68
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.68
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

N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
CID 115661440
N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide
CID 65100627
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide
CID 80504103
5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide
CID 61092438
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
2-amino-4-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 63109763
N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide
CID 107697209
N-[4-(bromomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885234

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide (CID 103805146) is N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(OC)c(N)c2)c(F)c1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide?
The InChIKey is JCGDXYHREPEJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-20-10-4-5-11(12(16)8-10)15(19)18-9-3-6-14(21-2)13(17)7-9/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide?
N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide has a molecular weight of 290.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 103805146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).