2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide

C24H21ClN2O4 — CID 86881521

IUPAC2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide
SMILESCNC(=O)c1c(C)cccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN2O4/c1-15-4-3-5-20(22(15)24(30)26-2)27-21(28)14-31-19-12-8-17(9-13-19)23(29)16-6-10-18(25)11-7-16/h3-13H,14H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyITLVMADCAAJSKF-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.26
Rot. Bonds7

About 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide

2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide (PubChem CID 86881521) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide.

Molecular Properties

Compound Name2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide
PubChem CID86881521
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC Name2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide
SMILESCNC(=O)c1c(C)cccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN2O4/c1-15-4-3-5-20(22(15)24(30)26-2)27-21(28)14-31-19-12-8-17(9-13-19)23(29)16-6-10-18(25)11-7-16/h3-13H,14H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyITLVMADCAAJSKF-UHFFFAOYSA-N
XLogP4.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide?
The IUPAC name of 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide (CID 86881521) is 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide.
What is the SMILES notation for 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide?
The canonical SMILES for 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide is CNC(=O)c1c(C)cccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide?
The InChIKey is ITLVMADCAAJSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c1-15-4-3-5-20(22(15)24(30)26-2)27-21(28)14-31-19-12-8-17(9-13-19)23(29)16-6-10-18(25)11-7-16/h3-13H,14H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide?
2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide has a molecular weight of 436.90 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide is sourced from PubChem (CID 86881521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).