4-[(3-fluoro-4-methoxyanilino)methyl]benzamide

C15H15FN2O2 — CID 43380800

IUPAC4-[(3-fluoro-4-methoxyanilino)methyl]benzamide
SMILESCOc1ccc(NCc2ccc(C(N)=O)cc2)cc1F
InChIInChI=1S/C15H15FN2O2/c1-20-14-7-6-12(8-13(14)16)18-9-10-2-4-11(5-3-10)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyCFOGXIDBTMYUME-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.55
Rot. Bonds5

About 4-[(3-fluoro-4-methoxyanilino)methyl]benzamide

4-[(3-fluoro-4-methoxyanilino)methyl]benzamide (PubChem CID 43380800) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyanilino)methyl]benzamide
PubChem CID43380800
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-[(3-fluoro-4-methoxyanilino)methyl]benzamide
SMILESCOc1ccc(NCc2ccc(C(N)=O)cc2)cc1F
InChIInChI=1S/C15H15FN2O2/c1-20-14-7-6-12(8-13(14)16)18-9-10-2-4-11(5-3-10)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyCFOGXIDBTMYUME-UHFFFAOYSA-N
XLogP2.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(3,4-dimethoxyanilino)methyl]benzohydrazide
CID 70810026
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
3-[(4-fluoro-3-methoxyanilino)methyl]benzamide
CID 114837601
4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide
CID 114838796
N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide
CID 142928445
4-bromo-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 65437481
4-[(5-bromo-2-methoxyanilino)methyl]benzamide
CID 61059474
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide
CID 47064115
3-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 43380515
4-[(3-fluoro-5-methylanilino)methyl]benzamide
CID 79054394
1-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]ethanone
CID 115576828

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxyanilino)methyl]benzamide?
The IUPAC name of 4-[(3-fluoro-4-methoxyanilino)methyl]benzamide (CID 43380800) is 4-[(3-fluoro-4-methoxyanilino)methyl]benzamide.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyanilino)methyl]benzamide?
The canonical SMILES for 4-[(3-fluoro-4-methoxyanilino)methyl]benzamide is COc1ccc(NCc2ccc(C(N)=O)cc2)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyanilino)methyl]benzamide?
The InChIKey is CFOGXIDBTMYUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-20-14-7-6-12(8-13(14)16)18-9-10-2-4-11(5-3-10)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19).
What are the key properties of 4-[(3-fluoro-4-methoxyanilino)methyl]benzamide?
4-[(3-fluoro-4-methoxyanilino)methyl]benzamide has a molecular weight of 274.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methoxyanilino)methyl]benzamide is sourced from PubChem (CID 43380800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).