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

C22H19ClN2O3 — CID 109047395

IUPAC4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C22H19ClN2O3/c1-28-20-9-5-2-6-17(20)14-24-21(26)15-10-12-16(13-11-15)22(27)25-19-8-4-3-7-18(19)23/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyYJROPNSMENENBR-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.53
Rot. Bonds6

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

4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 109047395) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide
PubChem CID109047395
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C22H19ClN2O3/c1-28-20-9-5-2-6-17(20)14-24-21(26)15-10-12-16(13-11-15)22(27)25-19-8-4-3-7-18(19)23/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyYJROPNSMENENBR-UHFFFAOYSA-N
XLogP4.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2-chlorophenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105759
6-N-(2-chlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097991
2-benzamido-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404635
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
5-N-(2-methoxyphenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105762
4-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 62236486
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
N-(2-chlorophenyl)-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282336
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
4-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 94805308

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide (CID 109047395) is 4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide is COc1ccccc1CNC(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is YJROPNSMENENBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-28-20-9-5-2-6-17(20)14-24-21(26)15-10-12-16(13-11-15)22(27)25-19-8-4-3-7-18(19)23/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide?
4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).