1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide

C21H16ClFN2O2 — CID 109047321

IUPAC1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16ClFN2O2/c22-19-4-2-1-3-16(19)13-24-20(26)14-5-7-15(8-6-14)21(27)25-18-11-9-17(23)10-12-18/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyDSMAUHAFQZBESM-UHFFFAOYSA-N
MW382.82 g/mol
LogP4.66
Rot. Bonds5

About 1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide

1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109047321) has the molecular formula C21H16ClFN2O2 and a molecular weight of 382.82 g/mol. Its IUPAC name is 1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109047321
Molecular FormulaC21H16ClFN2O2
Molecular Weight382.82 g/mol
Exact Mass382.09
IUPAC Name1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16ClFN2O2/c22-19-4-2-1-3-16(19)13-24-20(26)14-5-7-15(8-6-14)21(27)25-18-11-9-17(23)10-12-18/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyDSMAUHAFQZBESM-UHFFFAOYSA-N
XLogP4.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-fluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046825
1-N-[(2-chlorophenyl)methyl]-4-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109047331
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054654
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 138991708
N-[(2-chlorophenyl)methyl]-4-[[1-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 22429984
2-benzamido-N-[(2-chlorophenyl)methyl]benzamide
CID 9400943
(2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
CID 3254737
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982011
4-benzamido-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 24659050

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide (CID 109047321) is 1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide is O=C(NCc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is DSMAUHAFQZBESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O2/c22-19-4-2-1-3-16(19)13-24-20(26)14-5-7-15(8-6-14)21(27)25-18-11-9-17(23)10-12-18/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of 1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 382.82 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).