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

C22H18ClFN2O2 — CID 109054654

IUPAC3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C22H18ClFN2O2/c23-20-7-2-1-4-18(20)14-26-22(28)17-6-3-5-16(12-17)21(27)25-13-15-8-10-19(24)11-9-15/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeySSIYLEWEKBVLKG-UHFFFAOYSA-N
MW396.85 g/mol
LogP4.34
Rot. Bonds6

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

3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109054654) has the molecular formula C22H18ClFN2O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is 3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109054654
Molecular FormulaC22H18ClFN2O2
Molecular Weight396.85 g/mol
Exact Mass396.10
IUPAC Name3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C22H18ClFN2O2/c23-20-7-2-1-4-18(20)14-26-22(28)17-6-3-5-16(12-17)21(27)25-13-15-8-10-19(24)11-9-15/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeySSIYLEWEKBVLKG-UHFFFAOYSA-N
XLogP4.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109047321
3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054733
N-[(2-chlorophenyl)methyl]-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962520
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide
CID 9209764
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide
CID 4807069
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42858807
N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 110600760
[3-[(4-fluorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 135741408

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide (CID 109054654) is 3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide is O=C(NCc1ccc(F)cc1)c1cccc(C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of 3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is SSIYLEWEKBVLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2/c23-20-7-2-1-4-18(20)14-26-22(28)17-6-3-5-16(12-17)21(27)25-13-15-8-10-19(24)11-9-15/h1-12H,13-14H2,(H,25,27)(H,26,28).
What are the key properties of 3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 396.85 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).