4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide

C21H19FN2O2 — CID 153463842

IUPAC4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide
SMILESNCC(=CF)COc1ccc(C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C21H19FN2O2/c22-12-15(13-23)14-26-18-10-8-17(9-11-18)21(25)24-20-7-3-5-16-4-1-2-6-19(16)20/h1-12H,13-14,23H2,(H,24,25)
InChIKeyBEHIEDVODKOMCQ-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.28
Rot. Bonds6

About 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide

4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide (PubChem CID 153463842) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide
PubChem CID153463842
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide
SMILESNCC(=CF)COc1ccc(C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C21H19FN2O2/c22-12-15(13-23)14-26-18-10-8-17(9-11-18)21(25)24-20-7-3-5-16-4-1-2-6-19(16)20/h1-12H,13-14,23H2,(H,24,25)
InChIKeyBEHIEDVODKOMCQ-UHFFFAOYSA-N
XLogP4.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-(naphthalen-1-ylcarbamoyl)phenyl] 2,2,2-trifluoroacetate
CID 153463845
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 54223245
4-[[4-(difluoromethoxy)benzoyl]amino]-N-naphthalen-1-ylbenzamide
CID 1363649
N-naphthalen-1-yl-4-sulfanylbenzamide
CID 107019782
4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 146427574
N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
CID 7044052
4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide
CID 1194588
N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580238
4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 1215843
4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
CID 4939588
2-amino-N-naphthalen-1-ylacetamide;hydrochloride
CID 47003070

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide?
The IUPAC name of 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide (CID 153463842) is 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide is NCC(=CF)COc1ccc(C(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide?
The InChIKey is BEHIEDVODKOMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-12-15(13-23)14-26-18-10-8-17(9-11-18)21(25)24-20-7-3-5-16-4-1-2-6-19(16)20/h1-12H,13-14,23H2,(H,24,25).
What are the key properties of 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide?
4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide has a molecular weight of 350.39 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 153463842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).