3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide

C22H18ClFN2O2 — CID 109055404

IUPAC3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
SMILESO=C(NCCc1ccccc1F)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H18ClFN2O2/c23-18-8-10-19(11-9-18)26-22(28)17-6-3-5-16(14-17)21(27)25-13-12-15-4-1-2-7-20(15)24/h1-11,14H,12-13H2,(H,25,27)(H,26,28)
InChIKeyLQULMORFVYPOBB-UHFFFAOYSA-N
MW396.85 g/mol
LogP4.70
Rot. Bonds6

About 3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide

3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 109055404) has the molecular formula C22H18ClFN2O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is 3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
PubChem CID109055404
Molecular FormulaC22H18ClFN2O2
Molecular Weight396.85 g/mol
Exact Mass396.10
IUPAC Name3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
SMILESO=C(NCCc1ccccc1F)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C22H18ClFN2O2/c23-18-8-10-19(11-9-18)26-22(28)17-6-3-5-16(14-17)21(27)25-13-12-15-4-1-2-7-20(15)24/h1-11,14H,12-13H2,(H,25,27)(H,26,28)
InChIKeyLQULMORFVYPOBB-UHFFFAOYSA-N
XLogP4.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055398
3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 9474305
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109047977
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
CID 113042523
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381
4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 81306937
1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977390

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide (CID 109055404) is 3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide is O=C(NCCc1ccccc1F)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is LQULMORFVYPOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2/c23-18-8-10-19(11-9-18)26-22(28)17-6-3-5-16(14-17)21(27)25-13-12-15-4-1-2-7-20(15)24/h1-11,14H,12-13H2,(H,25,27)(H,26,28).
What are the key properties of 3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 396.85 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).