3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide

C19H20Cl2N2O3 — CID 17197387

IUPAC3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-11(2)22-19(25)13-5-4-6-15(9-13)23-18(24)12(3)26-17-8-7-14(20)10-16(17)21/h4-12H,1-3H3,(H,22,25)(H,23,24)
InChIKeyCFOAQYZPXQZZSK-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.54
Rot. Bonds6

About 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide

3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide (PubChem CID 17197387) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide
PubChem CID17197387
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-11(2)22-19(25)13-5-4-6-15(9-13)23-18(24)12(3)26-17-8-7-14(20)10-16(17)21/h4-12H,1-3H3,(H,22,25)(H,23,24)
InChIKeyCFOAQYZPXQZZSK-UHFFFAOYSA-N
XLogP4.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide
CID 17227762
(2R)-2-(2,4-dichlorophenoxy)-N-(3-ethylphenyl)propanamide
CID 874427
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
3-bromo-N'-[2-(2,4-dichlorophenoxy)propanoyl]benzohydrazide
CID 54790817
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 43877946
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
3-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-N-cyclopropylbenzamide
CID 30126849
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide (CID 17197387) is 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide?
The InChIKey is CFOAQYZPXQZZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-11(2)22-19(25)13-5-4-6-15(9-13)23-18(24)12(3)26-17-8-7-14(20)10-16(17)21/h4-12H,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide?
3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide has a molecular weight of 395.29 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 17197387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).