4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide

C22H18ClFN2O2 — CID 109047229

IUPAC4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClFN2O2/c23-19-9-1-15(2-10-19)13-25-21(27)17-5-7-18(8-6-17)22(28)26-14-16-3-11-20(24)12-4-16/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeyLXYIESHQBYVDOZ-UHFFFAOYSA-N
MW396.85 g/mol
LogP4.34
Rot. Bonds6

About 4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide

4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 109047229) has the molecular formula C22H18ClFN2O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
PubChem CID109047229
Molecular FormulaC22H18ClFN2O2
Molecular Weight396.85 g/mol
Exact Mass396.10
IUPAC Name4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClFN2O2/c23-19-9-1-15(2-10-19)13-25-21(27)17-5-7-18(8-6-17)22(28)26-14-16-3-11-20(24)12-4-16/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeyLXYIESHQBYVDOZ-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
[4-[[(4-fluorobenzoyl)amino]methyl]phenyl]boronic acid
CID 140784388
3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide
CID 4807069
4-chloro-N-[3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxopropyl]benzamide
CID 8942228
4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043482
N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide
CID 52552945

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide (CID 109047229) is 4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide is O=C(NCc1ccc(F)cc1)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is LXYIESHQBYVDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2/c23-19-9-1-15(2-10-19)13-25-21(27)17-5-7-18(8-6-17)22(28)26-14-16-3-11-20(24)12-4-16/h1-12H,13-14H2,(H,25,27)(H,26,28).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 396.85 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).