3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide

C19H20F2N2O4 — CID 87001161

IUPAC3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
SMILESCCNC(=O)c1ccc(CNC(=O)c2ccc(OC)c(OC(F)F)c2)cc1
InChIInChI=1S/C19H20F2N2O4/c1-3-22-17(24)13-6-4-12(5-7-13)11-23-18(25)14-8-9-15(26-2)16(10-14)27-19(20)21/h4-10,19H,3,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJAFZEKYBVYOYBQ-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.98
Rot. Bonds8

About 3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide

3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide (PubChem CID 87001161) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
PubChem CID87001161
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Name3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
SMILESCCNC(=O)c1ccc(CNC(=O)c2ccc(OC)c(OC(F)F)c2)cc1
InChIInChI=1S/C19H20F2N2O4/c1-3-22-17(24)13-6-4-12(5-7-13)11-23-18(25)14-8-9-15(26-2)16(10-14)27-19(20)21/h4-10,19H,3,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJAFZEKYBVYOYBQ-UHFFFAOYSA-N
XLogP2.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 51122096
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 46492035
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119383172
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
CID 56807264
4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide
CID 112832760
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide (CID 87001161) is 3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide is CCNC(=O)c1ccc(CNC(=O)c2ccc(OC)c(OC(F)F)c2)cc1.
What is the InChIKey of 3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide?
The InChIKey is JAFZEKYBVYOYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-3-22-17(24)13-6-4-12(5-7-13)11-23-18(25)14-8-9-15(26-2)16(10-14)27-19(20)21/h4-10,19H,3,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide?
3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide has a molecular weight of 378.38 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 87001161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).