2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide

C15H15FN2O3 — CID 62060818

IUPAC2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(F)cc2N)c(OC)c1
InChIInChI=1S/C15H15FN2O3/c1-20-10-4-6-13(14(8-10)21-2)18-15(19)11-5-3-9(16)7-12(11)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeySPBIYXFOAGILNY-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.68
Rot. Bonds4

About 2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide

2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide (PubChem CID 62060818) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
PubChem CID62060818
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(F)cc2N)c(OC)c1
InChIInChI=1S/C15H15FN2O3/c1-20-10-4-6-13(14(8-10)21-2)18-15(19)11-5-3-9(16)7-12(11)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeySPBIYXFOAGILNY-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

2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methoxybenzamide
CID 115413055
2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide
CID 61089728
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
2-amino-N-(4-fluoro-2-iodophenyl)-5-methoxybenzamide
CID 79769439
2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide
CID 60954882
N-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 3908223
N'-(2,4-difluorophenyl)-N-(2,4-dimethoxyphenyl)oxamide
CID 44998467
2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide
CID 110299190

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide?
The IUPAC name of 2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide (CID 62060818) is 2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide is COc1ccc(NC(=O)c2ccc(F)cc2N)c(OC)c1.
What is the InChIKey of 2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide?
The InChIKey is SPBIYXFOAGILNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-20-10-4-6-13(14(8-10)21-2)18-15(19)11-5-3-9(16)7-12(11)17/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide?
2-amino-N-(2,4-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 2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 62060818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).