3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide

C23H20Cl2N2O3 — CID 17227762

IUPAC3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C23H20Cl2N2O3/c1-15(30-21-12-11-17(24)14-20(21)25)22(28)26-18-8-6-7-16(13-18)23(29)27(2)19-9-4-3-5-10-19/h3-15H,1-2H3,(H,26,28)
InChIKeyRENAWJQFXLXGDX-UHFFFAOYSA-N
MW443.33 g/mol
LogP5.68
Rot. Bonds6

About 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide

3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide (PubChem CID 17227762) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide
PubChem CID17227762
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC Name3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C23H20Cl2N2O3/c1-15(30-21-12-11-17(24)14-20(21)25)22(28)26-18-8-6-7-16(13-18)23(29)27(2)19-9-4-3-5-10-19/h3-15H,1-2H3,(H,26,28)
InChIKeyRENAWJQFXLXGDX-UHFFFAOYSA-N
XLogP5.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide
CID 17227809
3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197387
3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide
CID 17221982
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231884
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
CID 17227739
(2R)-2-(2,4-dichlorophenoxy)-N-(3-ethylphenyl)propanamide
CID 874427
2-chloro-4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoic acid
CID 28677019
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide (CID 17227762) is 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide?
The InChIKey is RENAWJQFXLXGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-15(30-21-12-11-17(24)14-20(21)25)22(28)26-18-8-6-7-16(13-18)23(29)27(2)19-9-4-3-5-10-19/h3-15H,1-2H3,(H,26,28).
What are the key properties of 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide?
3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide has a molecular weight of 443.33 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 17227762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).