(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide

C14H19Cl2N3O2 — CID 119267913

IUPAC(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H](C)N
InChIInChI=1S/C14H19Cl2N3O2/c1-3-6-19(14(21)9(2)17)8-13(20)18-12-5-4-10(15)7-11(12)16/h4-5,7,9H,3,6,8,17H2,1-2H3,(H,18,20)/t9-/m0/s1
InChIKeyUBYPNKRGRSKFER-VIFPVBQESA-N
MW332.23 g/mol
LogP2.52
Rot. Bonds6

About (2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide

(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide (PubChem CID 119267913) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
PubChem CID119267913
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC Name(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H](C)N
InChIInChI=1S/C14H19Cl2N3O2/c1-3-6-19(14(21)9(2)17)8-13(20)18-12-5-4-10(15)7-11(12)16/h4-5,7,9H,3,6,8,17H2,1-2H3,(H,18,20)/t9-/m0/s1
InChIKeyUBYPNKRGRSKFER-VIFPVBQESA-N
XLogP2.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106
3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113115094
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide
CID 31185450
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2,4-dimethyl-N-propylbenzamide
CID 52892887
2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
2-(cyclopropylmethylamino)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylacetamide
CID 119683191
methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate
CID 55822669
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
CID 60521050
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide
CID 52667899
(E)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-3-pyridin-4-ylprop-2-enamide
CID 60553668
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide (CID 119267913) is (2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide?
The InChIKey is UBYPNKRGRSKFER-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19Cl2N3O2/c1-3-6-19(14(21)9(2)17)8-13(20)18-12-5-4-10(15)7-11(12)16/h4-5,7,9H,3,6,8,17H2,1-2H3,(H,18,20)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide?
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide has a molecular weight of 332.23 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide is sourced from PubChem (CID 119267913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).