1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide

C22H18F2N2O2 — CID 109054492

IUPAC1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
SMILESCC(NC(=O)c1cccc(C(=O)Nc2ccc(F)cc2F)c1)c1ccccc1
InChIInChI=1S/C22H18F2N2O2/c1-14(15-6-3-2-4-7-15)25-21(27)16-8-5-9-17(12-16)22(28)26-20-11-10-18(23)13-19(20)24/h2-14H,1H3,(H,25,27)(H,26,28)
InChIKeyQZSCVDIDOMFNJK-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.71
Rot. Bonds5

About 1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide

1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide (PubChem CID 109054492) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
PubChem CID109054492
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
SMILESCC(NC(=O)c1cccc(C(=O)Nc2ccc(F)cc2F)c1)c1ccccc1
InChIInChI=1S/C22H18F2N2O2/c1-14(15-6-3-2-4-7-15)25-21(27)16-8-5-9-17(12-16)22(28)26-20-11-10-18(23)13-19(20)24/h2-14H,1H3,(H,25,27)(H,26,28)
InChIKeyQZSCVDIDOMFNJK-UHFFFAOYSA-N
XLogP4.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-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-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054468
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924
1-N-(2-ethoxyphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054483
N-[2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]benzamide
CID 55455707
6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156252
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
1-N-(3,5-dimethylphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054462
N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide
CID 51195160
1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057784

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide (CID 109054492) is 1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide is CC(NC(=O)c1cccc(C(=O)Nc2ccc(F)cc2F)c1)c1ccccc1.
What is the InChIKey of 1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The InChIKey is QZSCVDIDOMFNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c1-14(15-6-3-2-4-7-15)25-21(27)16-8-5-9-17(12-16)22(28)26-20-11-10-18(23)13-19(20)24/h2-14H,1H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide has a molecular weight of 380.39 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).