3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide

C23H19ClN2O4 — CID 86962951

IUPAC3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide
SMILESCOc1cc(C)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1OC
InChIInChI=1S/C23H19ClN2O4/c1-14-10-21(28-2)22(29-3)12-19(14)26-23(27)15-6-4-7-16(11-15)30-20-9-5-8-18(24)17(20)13-25/h4-12H,1-3H3,(H,26,27)
InChIKeySWQIHXVQCRZSEJ-UHFFFAOYSA-N
MW422.87 g/mol
LogP5.58
Rot. Bonds6

About 3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide

3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide (PubChem CID 86962951) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is 3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide
PubChem CID86962951
Molecular FormulaC23H19ClN2O4
Molecular Weight422.87 g/mol
Exact Mass422.10
IUPAC Name3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide
SMILESCOc1cc(C)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1OC
InChIInChI=1S/C23H19ClN2O4/c1-14-10-21(28-2)22(29-3)12-19(14)26-23(27)15-6-4-7-16(11-15)30-20-9-5-8-18(24)17(20)13-25/h4-12H,1-3H3,(H,26,27)
InChIKeySWQIHXVQCRZSEJ-UHFFFAOYSA-N
XLogP5.58
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.87
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide
CID 86962975
N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide
CID 7589542
3-(3-chloro-2-cyanophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)benzamide
CID 86963899
2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile
CID 60701774
2-chloro-N-(4,5-dimethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 32694497
N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide
CID 2092667
2-(4-bromo-3-methylphenoxy)-6-chlorobenzonitrile
CID 83133521
4-(3-chloro-2-cyanophenoxy)-3-methylbenzoic acid
CID 107672821
3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide
CID 46489735
N-(3-chloro-2-cyanophenyl)benzamide
CID 102229158
3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 86963024
N-(2,3-dichlorophenyl)-4-methoxy-3-methylbenzamide
CID 18892517

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide?
The IUPAC name of 3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide (CID 86962951) is 3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide.
What is the SMILES notation for 3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide?
The canonical SMILES for 3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide is COc1cc(C)c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1OC.
What is the InChIKey of 3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide?
The InChIKey is SWQIHXVQCRZSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c1-14-10-21(28-2)22(29-3)12-19(14)26-23(27)15-6-4-7-16(11-15)30-20-9-5-8-18(24)17(20)13-25/h4-12H,1-3H3,(H,26,27).
What are the key properties of 3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide?
3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide has a molecular weight of 422.87 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)benzamide is sourced from PubChem (CID 86962951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).