3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide

C15H15FN2O3 — CID 39395082

IUPAC3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(F)c(N)c2)cc1OC
InChIInChI=1S/C15H15FN2O3/c1-20-13-6-4-10(8-14(13)21-2)18-15(19)9-3-5-11(16)12(17)7-9/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyDHQIQEUTCIKCAG-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.68
Rot. Bonds4

About 3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide

3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide (PubChem CID 39395082) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
PubChem CID39395082
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(F)c(N)c2)cc1OC
InChIInChI=1S/C15H15FN2O3/c1-20-13-6-4-10(8-14(13)21-2)18-15(19)9-3-5-11(16)12(17)7-9/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyDHQIQEUTCIKCAG-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-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
N-[4-(3,4-dimethoxyanilino)phenyl]-3,4-difluorobenzamide
CID 112988010
3-amino-N-(4-chloro-3-fluorophenyl)-4-methoxybenzamide
CID 61466446
4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836867
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635
4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 63188030
4-amino-N-(3-fluoro-4-methoxyphenyl)-3-hydroxybenzamide
CID 107074051
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283716
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
CID 55125214

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide?
The IUPAC name of 3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide (CID 39395082) is 3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide is COc1ccc(NC(=O)c2ccc(F)c(N)c2)cc1OC.
What is the InChIKey of 3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide?
The InChIKey is DHQIQEUTCIKCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-20-13-6-4-10(8-14(13)21-2)18-15(19)9-3-5-11(16)12(17)7-9/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide?
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide 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 3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 39395082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).