1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide

C21H18FN3O2 — CID 109054659

IUPAC1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H18FN3O2/c22-18-9-7-15(8-10-18)13-24-20(26)16-4-3-5-17(12-16)21(27)25-14-19-6-1-2-11-23-19/h1-12H,13-14H2,(H,24,26)(H,25,27)
InChIKeyAWHBIHICFHOIHB-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.08
Rot. Bonds6

About 1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide

1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109054659) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109054659
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H18FN3O2/c22-18-9-7-15(8-10-18)13-24-20(26)16-4-3-5-17(12-16)21(27)25-14-19-6-1-2-11-23-19/h1-12H,13-14H2,(H,24,26)(H,25,27)
InChIKeyAWHBIHICFHOIHB-UHFFFAOYSA-N
XLogP3.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
3-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 170360781
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 5073703
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700
2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 60555105
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109055054
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054965

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide (CID 109054659) is 1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide is O=C(NCc1ccc(F)cc1)c1cccc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is AWHBIHICFHOIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-18-9-7-15(8-10-18)13-24-20(26)16-4-3-5-17(12-16)21(27)25-14-19-6-1-2-11-23-19/h1-12H,13-14H2,(H,24,26)(H,25,27).
What are the key properties of 1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide?
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 363.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).