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

C15H15FN2O2 — CID 114837601

IUPAC3-[(4-fluoro-3-methoxyanilino)methyl]benzamide
SMILESCOc1cc(NCc2cccc(C(N)=O)c2)ccc1F
InChIInChI=1S/C15H15FN2O2/c1-20-14-8-12(5-6-13(14)16)18-9-10-3-2-4-11(7-10)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyAYSOFCZVQOXPCJ-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.55
Rot. Bonds5

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

3-[(4-fluoro-3-methoxyanilino)methyl]benzamide (PubChem CID 114837601) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-[(4-fluoro-3-methoxyanilino)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-fluoro-3-methoxyanilino)methyl]benzamide
PubChem CID114837601
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name3-[(4-fluoro-3-methoxyanilino)methyl]benzamide
SMILESCOc1cc(NCc2cccc(C(N)=O)c2)ccc1F
InChIInChI=1S/C15H15FN2O2/c1-20-14-8-12(5-6-13(14)16)18-9-10-3-2-4-11(7-10)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyAYSOFCZVQOXPCJ-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

3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide
CID 28564635
3-[(3,5-difluoroanilino)methyl]benzamide
CID 28584265
2-fluoro-4-[(4-fluoro-3-methoxyanilino)methyl]benzoic acid
CID 106700567
4-[(3-fluoro-4-methoxyanilino)methyl]benzamide
CID 43380800
3-[(4-tert-butylanilino)methyl]benzamide
CID 28572040
4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide
CID 114838796
3-[(4-cyano-3-methoxyphenyl)methylamino]benzamide
CID 107811270
3-[(naphthalen-2-ylamino)methyl]benzamide
CID 43533069
3-[(3-bromo-4-methylanilino)methyl]benzamide
CID 55201932
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-3-methoxyanilino)methyl]benzamide?
The IUPAC name of 3-[(4-fluoro-3-methoxyanilino)methyl]benzamide (CID 114837601) is 3-[(4-fluoro-3-methoxyanilino)methyl]benzamide.
What is the SMILES notation for 3-[(4-fluoro-3-methoxyanilino)methyl]benzamide?
The canonical SMILES for 3-[(4-fluoro-3-methoxyanilino)methyl]benzamide is COc1cc(NCc2cccc(C(N)=O)c2)ccc1F.
What is the InChIKey of 3-[(4-fluoro-3-methoxyanilino)methyl]benzamide?
The InChIKey is AYSOFCZVQOXPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-20-14-8-12(5-6-13(14)16)18-9-10-3-2-4-11(7-10)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19).
What are the key properties of 3-[(4-fluoro-3-methoxyanilino)methyl]benzamide?
3-[(4-fluoro-3-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 3-[(4-fluoro-3-methoxyanilino)methyl]benzamide is sourced from PubChem (CID 114837601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).