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

C13H18Cl2N2O — CID 81489203

IUPAC3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)CN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-8(17-12(18)13(2,3)7-16)10-5-4-9(14)6-11(10)15/h4-6,8H,7,16H2,1-3H3,(H,17,18)
InChIKeyCELHWPOCBKGWFY-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.16
Rot. Bonds4

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

3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide (PubChem CID 81489203) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
PubChem CID81489203
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)CN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-8(17-12(18)13(2,3)7-16)10-5-4-9(14)6-11(10)15/h4-6,8H,7,16H2,1-3H3,(H,17,18)
InChIKeyCELHWPOCBKGWFY-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119685342
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
3-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]-2,2-dimethylpropanamide
CID 111072627
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43163867
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide
CID 122157159
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide (CID 81489203) is 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)CN)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is CELHWPOCBKGWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-8(17-12(18)13(2,3)7-16)10-5-4-9(14)6-11(10)15/h4-6,8H,7,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide?
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 289.21 g/mol, XLogP of 3.16, 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 81489203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).