1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide

C18H18F2N2O2 — CID 109048473

IUPAC1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H18F2N2O2/c1-3-22(4-2)18(24)13-7-5-12(6-8-13)17(23)21-14-9-10-15(19)16(20)11-14/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKeyOXTUFRIKUKXXCN-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.70
Rot. Bonds5

About 1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide

1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide (PubChem CID 109048473) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
PubChem CID109048473
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H18F2N2O2/c1-3-22(4-2)18(24)13-7-5-12(6-8-13)17(23)21-14-9-10-15(19)16(20)11-14/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKeyOXTUFRIKUKXXCN-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide 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

1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 26899774
N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034
methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide
CID 111104838
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
CID 24617722
2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262459

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide (CID 109048473) is 1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide is CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The InChIKey is OXTUFRIKUKXXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-3-22(4-2)18(24)13-7-5-12(6-8-13)17(23)21-14-9-10-15(19)16(20)11-14/h5-11H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide has a molecular weight of 332.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109048473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).