N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide

C15H18ClF3N2O2 — CID 33165211

IUPACN-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H18ClF3N2O2/c1-14(2,3)13(23)20-7-6-12(22)21-9-4-5-11(16)10(8-9)15(17,18)19/h4-5,8H,6-7H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyJHANDVAXEIDDMX-UHFFFAOYSA-N
MW350.77 g/mol
LogP3.85
Rot. Bonds4

About N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 33165211) has the molecular formula C15H18ClF3N2O2 and a molecular weight of 350.77 g/mol. Its IUPAC name is N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID33165211
Molecular FormulaC15H18ClF3N2O2
Molecular Weight350.77 g/mol
Exact Mass350.10
IUPAC NameN-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H18ClF3N2O2/c1-14(2,3)13(23)20-7-6-12(22)21-9-4-5-11(16)10(8-9)15(17,18)19/h4-5,8H,6-7H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyJHANDVAXEIDDMX-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3,3-dimethyl-2-oxobutyl)butanediamide
CID 95753500
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide
CID 109032309
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethyl-N'-propylpropanediamide
CID 108957147
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide
CID 109042490
N-[3-[3,5-bis(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33163919
N-[4-chloro-3-(trifluoromethyl)phenyl]hex-4-ynamide
CID 2287537
3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 109019052
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide
CID 94285475
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide
CID 109020364

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 33165211) is N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is JHANDVAXEIDDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O2/c1-14(2,3)13(23)20-7-6-12(22)21-9-4-5-11(16)10(8-9)15(17,18)19/h4-5,8H,6-7H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 350.77 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 33165211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).