4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide

C15H15FN2O2 — CID 104791467

IUPAC4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide
SMILESCOc1cccc(CNc2ccc(C(N)=O)cc2)c1F
InChIInChI=1S/C15H15FN2O2/c1-20-13-4-2-3-11(14(13)16)9-18-12-7-5-10(6-8-12)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyFEQLDICFXPUDHE-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.55
Rot. Bonds5

About 4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide

4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide (PubChem CID 104791467) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide
PubChem CID104791467
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide
SMILESCOc1cccc(CNc2ccc(C(N)=O)cc2)c1F
InChIInChI=1S/C15H15FN2O2/c1-20-13-4-2-3-11(14(13)16)9-18-12-7-5-10(6-8-12)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyFEQLDICFXPUDHE-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

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Related Compounds

4-(chloromethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104794881
N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylsulfanylaniline
CID 104791450
3,4-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791484
4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573
3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791512
1-anilino-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 116555441
4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline
CID 104791781
4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791660
ethyl 4-[(2-methoxyphenyl)methylamino]benzoate
CID 2238269
2,6-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791540
5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide
CID 114162271
4-[(3-fluoro-4-methoxyanilino)methyl]benzamide
CID 43380800

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide?
The IUPAC name of 4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide (CID 104791467) is 4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide.
What is the SMILES notation for 4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide?
The canonical SMILES for 4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide is COc1cccc(CNc2ccc(C(N)=O)cc2)c1F.
What is the InChIKey of 4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide?
The InChIKey is FEQLDICFXPUDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-20-13-4-2-3-11(14(13)16)9-18-12-7-5-10(6-8-12)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19).
What are the key properties of 4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide?
4-[(2-fluoro-3-methoxyphenyl)methylamino]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-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide is sourced from PubChem (CID 104791467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).