2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide

C23H18ClN3O3 — CID 86962975

IUPAC2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1
InChIInChI=1S/C23H18ClN3O3/c1-27(2)23(29)17-9-3-4-11-20(17)26-22(28)15-7-5-8-16(13-15)30-21-12-6-10-19(24)18(21)14-25/h3-13H,1-2H3,(H,26,28)
InChIKeyFDGPDLACGKDESA-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.96
Rot. Bonds5

About 2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide

2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide (PubChem CID 86962975) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide
PubChem CID86962975
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1
InChIInChI=1S/C23H18ClN3O3/c1-27(2)23(29)17-9-3-4-11-20(17)26-22(28)15-7-5-8-16(13-15)30-21-12-6-10-19(24)18(21)14-25/h3-13H,1-2H3,(H,26,28)
InChIKeyFDGPDLACGKDESA-UHFFFAOYSA-N
XLogP4.96
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide (CID 86962975) is 2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1.
What is the InChIKey of 2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is FDGPDLACGKDESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-27(2)23(29)17-9-3-4-11-20(17)26-22(28)15-7-5-8-16(13-15)30-21-12-6-10-19(24)18(21)14-25/h3-13H,1-2H3,(H,26,28).
What are the key properties of 2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide?
2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 419.87 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 86962975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).