N-[(3-amino-2,4-dichlorophenyl)methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide

C12H13Cl2F3N2O — CID 67957366

IUPACN-[(3-amino-2,4-dichlorophenyl)methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)NCc1ccc(Cl)c(N)c1Cl)C(F)(F)F
InChIInChI=1S/C12H13Cl2F3N2O/c1-11(2,12(15,16)17)10(20)19-5-6-3-4-7(13)9(18)8(6)14/h3-4H,5,18H2,1-2H3,(H,19,20)
InChIKeyIDGVWXKGSDFCES-UHFFFAOYSA-N
MW329.15 g/mol
LogP3.78
Rot. Bonds3

About N-[(3-amino-2,4-dichlorophenyl)methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide

N-[(3-amino-2,4-dichlorophenyl)methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide (PubChem CID 67957366) has the molecular formula C12H13Cl2F3N2O and a molecular weight of 329.15 g/mol. Its IUPAC name is N-[(3-amino-2,4-dichlorophenyl)methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3-amino-2,4-dichlorophenyl)methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
PubChem CID67957366
Molecular FormulaC12H13Cl2F3N2O
Molecular Weight329.15 g/mol
Exact Mass328.04
IUPAC NameN-[(3-amino-2,4-dichlorophenyl)methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)NCc1ccc(Cl)c(N)c1Cl)C(F)(F)F
InChIInChI=1S/C12H13Cl2F3N2O/c1-11(2,12(15,16)17)10(20)19-5-6-3-4-7(13)9(18)8(6)14/h3-4H,5,18H2,1-2H3,(H,19,20)
InChIKeyIDGVWXKGSDFCES-UHFFFAOYSA-N
XLogP3.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2,4-dichlorophenyl)methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The IUPAC name of N-[(3-amino-2,4-dichlorophenyl)methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide (CID 67957366) is N-[(3-amino-2,4-dichlorophenyl)methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3-amino-2,4-dichlorophenyl)methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3-amino-2,4-dichlorophenyl)methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide is CC(C)(C(=O)NCc1ccc(Cl)c(N)c1Cl)C(F)(F)F.
What is the InChIKey of N-[(3-amino-2,4-dichlorophenyl)methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The InChIKey is IDGVWXKGSDFCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2F3N2O/c1-11(2,12(15,16)17)10(20)19-5-6-3-4-7(13)9(18)8(6)14/h3-4H,5,18H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-amino-2,4-dichlorophenyl)methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
N-[(3-amino-2,4-dichlorophenyl)methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide has a molecular weight of 329.15 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2,4-dichlorophenyl)methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide is sourced from PubChem (CID 67957366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).