N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide

C20H24F3N3O — CID 154663716

IUPACN-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1N
InChIInChI=1S/C20H24F3N3O/c1-19(2,3)11-18(27)26-17-9-8-15(10-16(17)24)25-12-13-4-6-14(7-5-13)20(21,22)23/h4-10,25H,11-12,24H2,1-3H3,(H,26,27)
InChIKeyPQVFAZMGBYIYOF-UHFFFAOYSA-N
MW379.43 g/mol
LogP5.27
Rot. Bonds5

About N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide

N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide (PubChem CID 154663716) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide
PubChem CID154663716
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC NameN-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1N
InChIInChI=1S/C20H24F3N3O/c1-19(2,3)11-18(27)26-17-9-8-15(10-16(17)24)25-12-13-4-6-14(7-5-13)20(21,22)23/h4-10,25H,11-12,24H2,1-3H3,(H,26,27)
InChIKeyPQVFAZMGBYIYOF-UHFFFAOYSA-N
XLogP5.27
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.43
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ezogabine
CID 121892
N-(2-amino-4-(4-methylpiperazin-1-yl)phenyl)-N-benzylacetamide
CID 11559141
N-(2-(3-methyl-2-oxo-7-(3-(trifluoromethyl)benzylamino)quinoxalin-1(2H)-yl)ethyl)acetamide
CID 24831994
Carbamic acid, N-(2-amino-3-fluoro-4-(((4-fluorophenyl)methyl)amino)phenyl)-, ethyl ester
CID 71812240
Ethyl (2-amino-3-fluoro-4-((4-(trifluoromethyl)benzyl)amino)phenyl)carbamate
CID 124203920
propan-2-yl N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 146202082
ethyl N-[2-amino-3-fluoro-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 146202085
N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide
CID 148983099
ethyl N-[2-amino-3,5-difluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 168279224
ethyl N-[2-amino-5-deuterio-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 168280691
ethyl N-[2-amino-5-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 146202087
N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]heptanamide
CID 154663577

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide (CID 154663716) is N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1N.
What is the InChIKey of N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide?
The InChIKey is PQVFAZMGBYIYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-19(2,3)11-18(27)26-17-9-8-15(10-16(17)24)25-12-13-4-6-14(7-5-13)20(21,22)23/h4-10,25H,11-12,24H2,1-3H3,(H,26,27).
What are the key properties of N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide?
N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide has a molecular weight of 379.43 g/mol, XLogP of 5.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 154663716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).