1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide

C22H19FN2O2 — CID 109054682

IUPAC1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)NCc3ccc(F)cc3)c2)c1
InChIInChI=1S/C22H19FN2O2/c1-15-4-2-7-20(12-15)25-22(27)18-6-3-5-17(13-18)21(26)24-14-16-8-10-19(23)11-9-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyCOWXIRNDBRYJRZ-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.32
Rot. Bonds5

About 1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide

1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109054682) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID109054682
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)NCc3ccc(F)cc3)c2)c1
InChIInChI=1S/C22H19FN2O2/c1-15-4-2-7-20(12-15)25-22(27)18-6-3-5-17(13-18)21(26)24-14-16-8-10-19(23)11-9-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyCOWXIRNDBRYJRZ-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-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054705
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
3-N-(1,3-benzodioxol-5-yl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054717
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
N-[(4-fluorophenyl)methyl]-1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119399
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054696
5-[(4-fluorophenoxy)methyl]-N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332434

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide (CID 109054682) is 1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide is Cc1cccc(NC(=O)c2cccc(C(=O)NCc3ccc(F)cc3)c2)c1.
What is the InChIKey of 1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is COWXIRNDBRYJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-15-4-2-7-20(12-15)25-22(27)18-6-3-5-17(13-18)21(26)24-14-16-8-10-19(23)11-9-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-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]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).