2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide

C13H16Cl2N2O2 — CID 78772971

IUPAC2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
SMILESCC(=O)NC(C)C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-7(11-5-4-10(14)6-12(11)15)17-13(19)8(2)16-9(3)18/h4-8H,1-3H3,(H,16,18)(H,17,19)
InChIKeyPQFPONXYCSBFGX-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.70
Rot. Bonds4

About 2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide

2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide (PubChem CID 78772971) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
PubChem CID78772971
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
SMILESCC(=O)NC(C)C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-7(11-5-4-10(14)6-12(11)15)17-13(19)8(2)16-9(3)18/h4-8H,1-3H3,(H,16,18)(H,17,19)
InChIKeyPQFPONXYCSBFGX-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 55965610
[(2R)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] 3-methylbut-2-enoate
CID 8760068
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
(2R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 7865722
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide
CID 104897119
2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide
CID 43112445
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide
CID 7501082

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide?
The IUPAC name of 2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide (CID 78772971) is 2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide?
The canonical SMILES for 2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide is CC(=O)NC(C)C(=O)NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide?
The InChIKey is PQFPONXYCSBFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-7(11-5-4-10(14)6-12(11)15)17-13(19)8(2)16-9(3)18/h4-8H,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide?
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide has a molecular weight of 303.19 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide is sourced from PubChem (CID 78772971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).