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

C21H16F2N2O2 — CID 109047271

IUPAC4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16F2N2O2/c22-17-7-1-14(2-8-17)13-24-20(26)15-3-5-16(6-4-15)21(27)25-19-11-9-18(23)10-12-19/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyCYHCWSWNOZNKIT-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.15
Rot. Bonds5

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

4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 109047271) has the molecular formula C21H16F2N2O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
PubChem CID109047271
Molecular FormulaC21H16F2N2O2
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16F2N2O2/c22-17-7-1-14(2-8-17)13-24-20(26)15-3-5-16(6-4-15)21(27)25-19-11-9-18(23)10-12-19/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyCYHCWSWNOZNKIT-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 26692275
4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide
CID 56823918
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide
CID 71917764
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 97022969
N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide
CID 119762425

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide (CID 109047271) is 4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide is O=C(NCc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is CYHCWSWNOZNKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2/c22-17-7-1-14(2-8-17)13-24-20(26)15-3-5-16(6-4-15)21(27)25-19-11-9-18(23)10-12-19/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of 4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 366.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).