N-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide

C18H20FNO2 — CID 112817404

IUPACN-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide
SMILESCCN(Cc1ccccc1C)C(=O)c1cc(F)ccc1OC
InChIInChI=1S/C18H20FNO2/c1-4-20(12-14-8-6-5-7-13(14)2)18(21)16-11-15(19)9-10-17(16)22-3/h5-11H,4,12H2,1-3H3
InChIKeyJPNIQEKLCGNGNB-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.81
Rot. Bonds5

About N-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide

N-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 112817404) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide
PubChem CID112817404
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide
SMILESCCN(Cc1ccccc1C)C(=O)c1cc(F)ccc1OC
InChIInChI=1S/C18H20FNO2/c1-4-20(12-14-8-6-5-7-13(14)2)18(21)16-11-15(19)9-10-17(16)22-3/h5-11H,4,12H2,1-3H3
InChIKeyJPNIQEKLCGNGNB-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 112817397
5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide
CID 55897554
N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylbenzamide
CID 123310577
N-ethyl-5-fluoro-2-methoxy-N-naphthalen-1-ylbenzamide
CID 55614672
N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide
CID 115745298
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419
5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55969027
2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid
CID 120976580
5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide
CID 110886002
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of N-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide (CID 112817404) is N-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for N-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for N-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide is CCN(Cc1ccccc1C)C(=O)c1cc(F)ccc1OC.
What is the InChIKey of N-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is JPNIQEKLCGNGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-4-20(12-14-8-6-5-7-13(14)2)18(21)16-11-15(19)9-10-17(16)22-3/h5-11H,4,12H2,1-3H3.
What are the key properties of N-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide?
N-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 301.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 112817404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).