N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide

C19H21F2NO6 — CID 34626354

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC(F)F
InChIInChI=1S/C19H21F2NO6/c1-24-13-6-5-11(7-14(13)28-19(20)21)10-22-18(23)12-8-15(25-2)17(27-4)16(9-12)26-3/h5-9,19H,10H2,1-4H3,(H,22,23)
InChIKeyWLKLOZQMYYWGIZ-UHFFFAOYSA-N
MW397.37 g/mol
LogP3.25
Rot. Bonds9

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide (PubChem CID 34626354) has the molecular formula C19H21F2NO6 and a molecular weight of 397.37 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
PubChem CID34626354
Molecular FormulaC19H21F2NO6
Molecular Weight397.37 g/mol
Exact Mass397.13
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC(F)F
InChIInChI=1S/C19H21F2NO6/c1-24-13-6-5-11(7-14(13)28-19(20)21)10-22-18(23)12-8-15(25-2)17(27-4)16(9-12)26-3/h5-9,19H,10H2,1-4H3,(H,22,23)
InChIKeyWLKLOZQMYYWGIZ-UHFFFAOYSA-N
XLogP3.25
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
CID 87001161
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 51122096
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide
CID 55777909
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide
CID 42119354
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17480128

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide (CID 34626354) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide is COc1ccc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is WLKLOZQMYYWGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO6/c1-24-13-6-5-11(7-14(13)28-19(20)21)10-22-18(23)12-8-15(25-2)17(27-4)16(9-12)26-3/h5-9,19H,10H2,1-4H3,(H,22,23).
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 397.37 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 34626354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).