N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide

C13H15ClF3NO — CID 803107

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H15ClF3NO/c1-12(2,3)7-11(19)18-8-4-5-10(14)9(6-8)13(15,16)17/h4-6H,7H2,1-3H3,(H,18,19)
InChIKeyHEFUWAMZDWJUNT-UHFFFAOYSA-N
MW293.72 g/mol
LogP4.73
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide (PubChem CID 803107) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
PubChem CID803107
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H15ClF3NO/c1-12(2,3)7-11(19)18-8-4-5-10(14)9(6-8)13(15,16)17/h4-6H,7H2,1-3H3,(H,18,19)
InChIKeyHEFUWAMZDWJUNT-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylanilino)acetamide
CID 109007487
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3,5-dimethylphenyl)propanediamide
CID 108953737
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 43132915
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 60638343
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33165211
2-acetamido-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]acetamide
CID 60559581
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3,3-dimethyl-2-oxobutyl)butanediamide
CID 95753500
3,3-dimethyl-N-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]butanamide
CID 60565767
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119675447
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(2-methylbutan-2-ylamino)phenyl]urea
CID 71038616

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide (CID 803107) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is HEFUWAMZDWJUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c1-12(2,3)7-11(19)18-8-4-5-10(14)9(6-8)13(15,16)17/h4-6H,7H2,1-3H3,(H,18,19).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 293.72 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 803107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).