N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide

C22H19ClN2O5 — CID 108511701

IUPACN'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)cc1Cl
InChIInChI=1S/C22H19ClN2O5/c1-28-19-13-18(20(29-2)12-17(19)23)25-22(27)21(26)24-14-8-10-16(11-9-14)30-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyXSUPQGPVSRLFQZ-UHFFFAOYSA-N
MW426.86 g/mol
LogP4.73
Rot. Bonds6

About N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide

N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide (PubChem CID 108511701) has the molecular formula C22H19ClN2O5 and a molecular weight of 426.86 g/mol. Its IUPAC name is N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide
PubChem CID108511701
Molecular FormulaC22H19ClN2O5
Molecular Weight426.86 g/mol
Exact Mass426.10
IUPAC NameN'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)cc1Cl
InChIInChI=1S/C22H19ClN2O5/c1-28-19-13-18(20(29-2)12-17(19)23)25-22(27)21(26)24-14-8-10-16(11-9-14)30-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyXSUPQGPVSRLFQZ-UHFFFAOYSA-N
XLogP4.73
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514378
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509414
N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108530208
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
1-(3-chloro-4-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 53489432
(Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 1191949
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide
CID 108510015

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide?
The IUPAC name of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide (CID 108511701) is N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide.
What is the SMILES notation for N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide?
The canonical SMILES for N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide is COc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)cc1Cl.
What is the InChIKey of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide?
The InChIKey is XSUPQGPVSRLFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O5/c1-28-19-13-18(20(29-2)12-17(19)23)25-22(27)21(26)24-14-8-10-16(11-9-14)30-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide?
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide has a molecular weight of 426.86 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide is sourced from PubChem (CID 108511701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).