N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide

C20H22F2N2O4 — CID 8503672

IUPACN-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)cc1
InChIInChI=1S/C20H22F2N2O4/c1-4-24(5-2)19(26)13-6-9-15(10-7-13)23-18(25)14-8-11-16(28-20(21)22)17(12-14)27-3/h6-12,20H,4-5H2,1-3H3,(H,23,25)
InChIKeyOSKDGJIDQNCXOO-UHFFFAOYSA-N
MW392.40 g/mol
LogP4.03
Rot. Bonds8

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

N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 8503672) has the molecular formula C20H22F2N2O4 and a molecular weight of 392.40 g/mol. Its IUPAC name is N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID8503672
Molecular FormulaC20H22F2N2O4
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC NameN-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)cc1
InChIInChI=1S/C20H22F2N2O4/c1-4-24(5-2)19(26)13-6-9-15(10-7-13)23-18(25)14-8-11-16(28-20(21)22)17(12-14)27-3/h6-12,20H,4-5H2,1-3H3,(H,23,25)
InChIKeyOSKDGJIDQNCXOO-UHFFFAOYSA-N
XLogP4.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 34317168
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474776
4-(difluoromethoxy)-3-methoxy-N-(4-sulfamoylphenyl)benzamide
CID 9314405
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide
CID 1000603
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide
CID 55394910
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide (CID 8503672) is N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)cc1.
What is the InChIKey of N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is OSKDGJIDQNCXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O4/c1-4-24(5-2)19(26)13-6-9-15(10-7-13)23-18(25)14-8-11-16(28-20(21)22)17(12-14)27-3/h6-12,20H,4-5H2,1-3H3,(H,23,25).
What are the key properties of N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide?
N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 392.40 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 8503672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).