N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide

C18H20FNO3 — CID 34485959

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCc2ccc(C)c(F)c2)cc(OC)c1C
InChIInChI=1S/C18H20FNO3/c1-11-5-6-13(7-15(11)19)10-20-18(21)14-8-16(22-3)12(2)17(9-14)23-4/h5-9H,10H2,1-4H3,(H,20,21)
InChIKeyWFDRUCDDZIKWEW-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.39
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide

N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 34485959) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID34485959
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCc2ccc(C)c(F)c2)cc(OC)c1C
InChIInChI=1S/C18H20FNO3/c1-11-5-6-13(7-15(11)19)10-20-18(21)14-8-16(22-3)12(2)17(9-14)23-4/h5-9H,10H2,1-4H3,(H,20,21)
InChIKeyWFDRUCDDZIKWEW-UHFFFAOYSA-N
XLogP3.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 52570640
N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide
CID 24535452
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide
CID 24553270
4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 34486663
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
4-(difluoromethoxy)-3-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24553274
3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 25316330
3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 43471397
2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid
CID 119246780
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
CID 110782122

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide (CID 34485959) is N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NCc2ccc(C)c(F)c2)cc(OC)c1C.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is WFDRUCDDZIKWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-11-5-6-13(7-15(11)19)10-20-18(21)14-8-16(22-3)12(2)17(9-14)23-4/h5-9H,10H2,1-4H3,(H,20,21).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide?
N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 317.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 34485959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).