5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide

C14H15FN2O2 — CID 103296184

IUPAC5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NCCc2ccco2)c1F
InChIInChI=1S/C14H15FN2O2/c1-9-7-10(16)8-12(13(9)15)14(18)17-5-4-11-3-2-6-19-11/h2-3,6-8H,4-5,16H2,1H3,(H,17,18)
InChIKeyQOVQOCKJNCHTQT-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.28
Rot. Bonds4

About 5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide

5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide (PubChem CID 103296184) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide
PubChem CID103296184
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NCCc2ccco2)c1F
InChIInChI=1S/C14H15FN2O2/c1-9-7-10(16)8-12(13(9)15)14(18)17-5-4-11-3-2-6-19-11/h2-3,6-8H,4-5,16H2,1H3,(H,17,18)
InChIKeyQOVQOCKJNCHTQT-UHFFFAOYSA-N
XLogP2.28
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 113400267
3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 107872467
3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 113386431
5-amino-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 61290383
5-amino-2-fluoro-3-methyl-N-pentylbenzamide
CID 103295782
5-fluoro-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 79883377
5-amino-N-but-3-enyl-2-fluoro-3-methylbenzamide
CID 103296822
3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 112575697
4-amino-N-[2-(furan-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140224
ethyl 3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propanoate
CID 103296353

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide?
The IUPAC name of 5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide (CID 103296184) is 5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for 5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide is Cc1cc(N)cc(C(=O)NCCc2ccco2)c1F.
What is the InChIKey of 5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide?
The InChIKey is QOVQOCKJNCHTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9-7-10(16)8-12(13(9)15)14(18)17-5-4-11-3-2-6-19-11/h2-3,6-8H,4-5,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide?
5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide has a molecular weight of 262.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 103296184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).