2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide

C13H16ClF3N2O — CID 79805138

IUPAC2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C13H16ClF3N2O/c1-8(9-6-4-5-7-10(9)14)19(3)11(20)12(2,18)13(15,16)17/h4-8H,18H2,1-3H3
InChIKeyDVJROLSZXJTBOW-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.14
Rot. Bonds3

About 2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide

2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide (PubChem CID 79805138) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
PubChem CID79805138
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C13H16ClF3N2O/c1-8(9-6-4-5-7-10(9)14)19(3)11(20)12(2,18)13(15,16)17/h4-8H,18H2,1-3H3
InChIKeyDVJROLSZXJTBOW-UHFFFAOYSA-N
XLogP3.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62729337
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide
CID 63681334
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-sulfanylpropanamide
CID 107029047
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957895
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 55097238
(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 104903057
7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride
CID 119717437
2-amino-3-(2-chlorophenyl)-2-methylbutanoic acid
CID 118914338
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide
CID 54870533
2-carbamothioyl-N-[1-(2-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 62986265
1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81172128

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
The IUPAC name of 2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide (CID 79805138) is 2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
The canonical SMILES for 2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide is CC(c1ccccc1Cl)N(C)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
The InChIKey is DVJROLSZXJTBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-8(9-6-4-5-7-10(9)14)19(3)11(20)12(2,18)13(15,16)17/h4-8H,18H2,1-3H3.
What are the key properties of 2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide has a molecular weight of 308.73 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide is sourced from PubChem (CID 79805138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).