N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide

C16H18F6N2O2 — CID 33163919

IUPACN-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H18F6N2O2/c1-14(2,3)13(26)23-5-4-12(25)24-11-7-9(15(17,18)19)6-10(8-11)16(20,21)22/h6-8H,4-5H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyNNOLKNZDTQISHB-UHFFFAOYSA-N
MW384.32 g/mol
LogP4.22
Rot. Bonds4

About N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 33163919) has the molecular formula C16H18F6N2O2 and a molecular weight of 384.32 g/mol. Its IUPAC name is N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID33163919
Molecular FormulaC16H18F6N2O2
Molecular Weight384.32 g/mol
Exact Mass384.13
IUPAC NameN-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H18F6N2O2/c1-14(2,3)13(26)23-5-4-12(25)24-11-7-9(15(17,18)19)6-10(8-11)16(20,21)22/h6-8H,4-5H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyNNOLKNZDTQISHB-UHFFFAOYSA-N
XLogP4.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18205419
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33165211
N-[3-[2-iodo-5-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 47085531
N-[3,5-bis(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 119672496
2,2-dimethyl-N-[3-oxo-3-[4-(trifluoromethylsulfonyl)anilino]propyl]propanamide
CID 75395265
N-[3,5-bis(trifluoromethyl)phenyl]-3-methylsulfonylpropanamide
CID 127504659
N-[3,5-bis(trifluoromethyl)phenyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide
CID 108787887
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18154986
N-[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 33172062
tris[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]ethyl]-methylazanium
CID 171057113
tris[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]ethyl]-methylphosphanium
CID 171057100

Frequently Asked Questions

What is the IUPAC name of N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 33163919) is N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is NNOLKNZDTQISHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F6N2O2/c1-14(2,3)13(26)23-5-4-12(25)24-11-7-9(15(17,18)19)6-10(8-11)16(20,21)22/h6-8H,4-5H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 384.32 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 33163919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).