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

C18H20FNO4 — CID 18115808

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(OC)cc(C(=O)N(C)Cc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C18H20FNO4/c1-20(11-12-5-6-17(24-4)16(19)7-12)18(21)13-8-14(22-2)10-15(9-13)23-3/h5-10H,11H2,1-4H3
InChIKeyKDXKYSKSXSTKHE-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.12
Rot. Bonds6

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

N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide (PubChem CID 18115808) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
PubChem CID18115808
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(OC)cc(C(=O)N(C)Cc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C18H20FNO4/c1-20(11-12-5-6-17(24-4)16(19)7-12)18(21)13-8-14(22-2)10-15(9-13)23-3/h5-10H,11H2,1-4H3
InChIKeyKDXKYSKSXSTKHE-UHFFFAOYSA-N
XLogP3.12
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(methylsulfanylmethyl)benzamide
CID 86978090
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735669
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 32762574
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 17447067
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 18115905
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide (CID 18115808) is N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide is COc1cc(OC)cc(C(=O)N(C)Cc2ccc(OC)c(F)c2)c1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide?
The InChIKey is KDXKYSKSXSTKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-20(11-12-5-6-17(24-4)16(19)7-12)18(21)13-8-14(22-2)10-15(9-13)23-3/h5-10H,11H2,1-4H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide has a molecular weight of 333.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 18115808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).