N-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide

C15H13F2NO2 — CID 150788905

IUPACN-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2cccc(C(=O)NF)c2)c1F
InChIInChI=1S/C15H13F2NO2/c1-10-4-2-6-12(14(10)16)9-20-13-7-3-5-11(8-13)15(19)18-17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyKDKVFOYEHPNZDC-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.33
Rot. Bonds4

About N-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide

N-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide (PubChem CID 150788905) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is N-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide
PubChem CID150788905
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC NameN-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2cccc(C(=O)NF)c2)c1F
InChIInChI=1S/C15H13F2NO2/c1-10-4-2-6-12(14(10)16)9-20-13-7-3-5-11(8-13)15(19)18-17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyKDKVFOYEHPNZDC-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-fluorophenyl)methoxy]-N-methylbenzamide
CID 13176420
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide
CID 111432837
2-methyl-N'-(3-phenylmethoxybenzoyl)benzohydrazide
CID 46520493
3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 111448156
prop-2-ynyl 3-[(2-methylphenyl)methoxy]benzoate
CID 91681572
1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone
CID 112549927
2-(2-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10519489
N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide
CID 2231510
3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide
CID 52738677
2-[(3-acetylphenoxy)methyl]benzoic acid
CID 43473132
3-[(2-bromophenyl)methoxy]-N-propylbenzamide
CID 13176426

Frequently Asked Questions

What is the IUPAC name of N-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide?
The IUPAC name of N-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide (CID 150788905) is N-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide.
What is the SMILES notation for N-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide?
The canonical SMILES for N-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide is Cc1cccc(COc2cccc(C(=O)NF)c2)c1F.
What is the InChIKey of N-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide?
The InChIKey is KDKVFOYEHPNZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-10-4-2-6-12(14(10)16)9-20-13-7-3-5-11(8-13)15(19)18-17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide?
N-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide has a molecular weight of 277.27 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 150788905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).