N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide

C18H20FNO2 — CID 75422754

IUPACN-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C18H20FNO2/c1-4-20(12-14-5-7-17(22-3)8-6-14)18(21)15-9-13(2)10-16(19)11-15/h5-11H,4,12H2,1-3H3
InChIKeyBZGLVTPATGDEIT-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.81
Rot. Bonds5

About N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide

N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide (PubChem CID 75422754) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
PubChem CID75422754
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C18H20FNO2/c1-4-20(12-14-5-7-17(22-3)8-6-14)18(21)15-9-13(2)10-16(19)11-15/h5-11H,4,12H2,1-3H3
InChIKeyBZGLVTPATGDEIT-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-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 63978972
N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 55594329
3-(difluoromethoxy)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 55761516
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 1453837
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 1458729
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61109885
N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
CID 103602990
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961
N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866013
N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 55795743
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1459110

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide?
The IUPAC name of N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide (CID 75422754) is N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide.
What is the SMILES notation for N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide?
The canonical SMILES for N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide is CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)cc(F)c1.
What is the InChIKey of N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide?
The InChIKey is BZGLVTPATGDEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-4-20(12-14-5-7-17(22-3)8-6-14)18(21)15-9-13(2)10-16(19)11-15/h5-11H,4,12H2,1-3H3.
What are the key properties of N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide?
N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide 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-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide is sourced from PubChem (CID 75422754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).