N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide

C18H20FNO3 — CID 110787364

IUPACN-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2ccc(F)c(C)c2)c1
InChIInChI=1S/C18H20FNO3/c1-12-8-13(4-5-17(12)19)6-7-20-18(21)14-9-15(22-2)11-16(10-14)23-3/h4-5,8-11H,6-7H2,1-3H3,(H,20,21)
InChIKeyOMYIWBXWLVVCGP-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide

N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide (PubChem CID 110787364) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide
PubChem CID110787364
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2ccc(F)c(C)c2)c1
InChIInChI=1S/C18H20FNO3/c1-12-8-13(4-5-17(12)19)6-7-20-18(21)14-9-15(22-2)11-16(10-14)23-3/h4-5,8-11H,6-7H2,1-3H3,(H,20,21)
InChIKeyOMYIWBXWLVVCGP-UHFFFAOYSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110787367
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 110787525
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108538638
3,5-dimethoxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzamide
CID 110788429
N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63209632
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140036
1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea
CID 115169314
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide
CID 110792373
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
CID 77093843

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide (CID 110787364) is N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCc2ccc(F)c(C)c2)c1.
What is the InChIKey of N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is OMYIWBXWLVVCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12-8-13(4-5-17(12)19)6-7-20-18(21)14-9-15(22-2)11-16(10-14)23-3/h4-5,8-11H,6-7H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide?
N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 317.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 110787364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).