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

C12H16Cl2N2O — CID 62669599

IUPAC3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
SMILESCC(CN)C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-7(6-15)12(17)16-8(2)10-4-3-9(13)5-11(10)14/h3-5,7-8H,6,15H2,1-2H3,(H,16,17)
InChIKeyOSDDIHYJQOLGGY-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.77
Rot. Bonds4

About 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide

3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide (PubChem CID 62669599) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
PubChem CID62669599
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
SMILESCC(CN)C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-7(6-15)12(17)16-8(2)10-4-3-9(13)5-11(10)14/h3-5,7-8H,6,15H2,1-2H3,(H,16,17)
InChIKeyOSDDIHYJQOLGGY-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide
CID 122157159
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
CID 81489203
(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide
CID 93339949
N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 55965610
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide
CID 104897119
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43163867

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide (CID 62669599) is 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide is CC(CN)C(=O)NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide?
The InChIKey is OSDDIHYJQOLGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-7(6-15)12(17)16-8(2)10-4-3-9(13)5-11(10)14/h3-5,7-8H,6,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide?
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide has a molecular weight of 275.18 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 62669599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).