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

C11H14Cl2N2O — CID 43176389

IUPAC2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
SMILESCC(N)C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O/c1-6(14)11(16)15-7(2)9-4-3-8(12)5-10(9)13/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyONOCTCPELOWDHF-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.52
Rot. Bonds3

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

2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide (PubChem CID 43176389) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
PubChem CID43176389
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
SMILESCC(N)C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O/c1-6(14)11(16)15-7(2)9-4-3-8(12)5-10(9)13/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyONOCTCPELOWDHF-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.52
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
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide
CID 104897119
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide
CID 93339949
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427
N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 55965610
N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43163867
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide
CID 81082315
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide
CID 7501082

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide?
The IUPAC name of 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide (CID 43176389) is 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide?
The canonical SMILES for 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide is CC(N)C(=O)NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide?
The InChIKey is ONOCTCPELOWDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-6(14)11(16)15-7(2)9-4-3-8(12)5-10(9)13/h3-7H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide?
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide has a molecular weight of 261.15 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide is sourced from PubChem (CID 43176389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).