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

C15H15FN2O2 — CID 63110478

IUPAC2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
SMILESCOc1cccc(N(C)C(=O)c2ccc(F)cc2N)c1
InChIInChI=1S/C15H15FN2O2/c1-18(11-4-3-5-12(9-11)20-2)15(19)13-7-6-10(16)8-14(13)17/h3-9H,17H2,1-2H3
InChIKeyRWFFLQXNMNYRPV-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.69
Rot. Bonds3

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

2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide (PubChem CID 63110478) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
PubChem CID63110478
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
SMILESCOc1cccc(N(C)C(=O)c2ccc(F)cc2N)c1
InChIInChI=1S/C15H15FN2O2/c1-18(11-4-3-5-12(9-11)20-2)15(19)13-7-6-10(16)8-14(13)17/h3-9H,17H2,1-2H3
InChIKeyRWFFLQXNMNYRPV-UHFFFAOYSA-N
XLogP2.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114
4-fluoro-2-hydroxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 107015204
2-amino-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733131
2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 103774616
N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881879
2-amino-3-fluoro-N-(3-methoxyphenyl)-N-methylpyridine-4-carboxamide
CID 105385330
2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide
CID 79722420
3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
CID 107952292
N-(3-aminophenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107013206
2-amino-4-fluoro-N-methoxy-N-methylbenzamide
CID 63110530
2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
CID 107075081
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide?
The IUPAC name of 2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide (CID 63110478) is 2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide is COc1cccc(N(C)C(=O)c2ccc(F)cc2N)c1.
What is the InChIKey of 2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide?
The InChIKey is RWFFLQXNMNYRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-18(11-4-3-5-12(9-11)20-2)15(19)13-7-6-10(16)8-14(13)17/h3-9H,17H2,1-2H3.
What are the key properties of 2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide?
2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide has a molecular weight of 274.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 63110478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).