2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide

C24H23ClN2O3 — CID 154646124

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCN(Cc1cccnc1)C(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23ClN2O3/c1-24(2,23(29)27(3)16-17-5-4-14-26-15-17)30-21-12-8-19(9-13-21)22(28)18-6-10-20(25)11-7-18/h4-15H,16H2,1-3H3
InChIKeySPMPUEHFTZLGFE-UHFFFAOYSA-N
MW422.91 g/mol
LogP4.78
Rot. Bonds7

About 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide

2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 154646124) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID154646124
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCN(Cc1cccnc1)C(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23ClN2O3/c1-24(2,23(29)27(3)16-17-5-4-14-26-15-17)30-21-12-8-19(9-13-21)22(28)18-6-10-20(25)11-7-18/h4-15H,16H2,1-3H3
InChIKeySPMPUEHFTZLGFE-UHFFFAOYSA-N
XLogP4.78
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 87002083
3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 63681105
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 43966625
2-(4-chlorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 43966629
[3-amino-5-[4-(4-chlorobenzoyl)phenoxy]-5-methyl-4-oxohexyl] pyridine-3-carboxylate
CID 57217735
2-(4-chlorophenoxy)-N-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 43966627
2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide
CID 52892039
2-(4-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 43966630
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 154646142
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 79809149
2-(4-chlorophenoxy)-N-(cyclopentylmethyl)-N,2-dimethylpropanamide
CID 60603240

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide (CID 154646124) is 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide is CN(Cc1cccnc1)C(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is SPMPUEHFTZLGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-24(2,23(29)27(3)16-17-5-4-14-26-15-17)30-21-12-8-19(9-13-21)22(28)18-6-10-20(25)11-7-18/h4-15H,16H2,1-3H3.
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 422.91 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 154646124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).