2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide

C17H15Cl2F3N2O2 — CID 22575032

IUPAC2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(N)(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H15Cl2F3N2O2/c1-16(23,15(25)24-13-7-11(18)6-12(19)8-13)9-10-2-4-14(5-3-10)26-17(20,21)22/h2-8H,9,23H2,1H3,(H,24,25)
InChIKeyBUFJZGXMHGNTSJ-UHFFFAOYSA-N
MW407.22 g/mol
LogP4.79
Rot. Bonds5

About 2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide

2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 22575032) has the molecular formula C17H15Cl2F3N2O2 and a molecular weight of 407.22 g/mol. Its IUPAC name is 2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID22575032
Molecular FormulaC17H15Cl2F3N2O2
Molecular Weight407.22 g/mol
Exact Mass406.05
IUPAC Name2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(N)(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H15Cl2F3N2O2/c1-16(23,15(25)24-13-7-11(18)6-12(19)8-13)9-10-2-4-14(5-3-10)26-17(20,21)22/h2-8H,9,23H2,1H3,(H,24,25)
InChIKeyBUFJZGXMHGNTSJ-UHFFFAOYSA-N
XLogP4.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.22
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 59923584
2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61259411
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea
CID 166747484
2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119721542
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide
CID 22421197
N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide
CID 46571844
2-(3,5-dimethylphenyl)-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 134102861
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
3-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55512022
2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 107365572

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide (CID 22575032) is 2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide is CC(N)(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is BUFJZGXMHGNTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O2/c1-16(23,15(25)24-13-7-11(18)6-12(19)8-13)9-10-2-4-14(5-3-10)26-17(20,21)22/h2-8H,9,23H2,1H3,(H,24,25).
What are the key properties of 2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide?
2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 407.22 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 22575032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).