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

C22H19FN2O2 — CID 109047255

IUPAC1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H19FN2O2/c1-15-2-12-20(13-3-15)25-22(27)18-8-6-17(7-9-18)21(26)24-14-16-4-10-19(23)11-5-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyKHXJJJZOPBRGGE-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.32
Rot. Bonds5

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

1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109047255) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID109047255
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H19FN2O2/c1-15-2-12-20(13-3-15)25-22(27)18-8-6-17(7-9-18)21(26)24-14-16-4-10-19(23)11-5-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyKHXJJJZOPBRGGE-UHFFFAOYSA-N
XLogP4.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 26692275
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046989
4-N-(4-ethoxyphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046981
N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119397
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide (CID 109047255) is 1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide is Cc1ccc(NC(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is KHXJJJZOPBRGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-15-2-12-20(13-3-15)25-22(27)18-8-6-17(7-9-18)21(26)24-14-16-4-10-19(23)11-5-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide?
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 362.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).