N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide

C14H18ClF3N2O — CID 116699575

IUPACN-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide
SMILESCC(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H18ClF3N2O/c1-8(12(21)20-13(2,3)4)19-11-6-9(14(16,17)18)5-10(15)7-11/h5-8,19H,1-4H3,(H,20,21)
InChIKeyJOUKQGABSOESBL-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.07
Rot. Bonds3

About N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide

N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide (PubChem CID 116699575) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide
PubChem CID116699575
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC NameN-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide
SMILESCC(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H18ClF3N2O/c1-8(12(21)20-13(2,3)4)19-11-6-9(14(16,17)18)5-10(15)7-11/h5-8,19H,1-4H3,(H,20,21)
InChIKeyJOUKQGABSOESBL-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide
CID 65489625
N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
CID 43087018
4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol
CID 116699478
N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyl-2-sulfanylbutanamide
CID 107036182
2-[3-chloro-5-(trifluoromethyl)anilino]-3-methoxypropanoic acid
CID 103268224
3-chloro-N-(2,6-dimethylheptan-4-yl)-5-(trifluoromethyl)aniline
CID 116698994
N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 52771706
3-chloro-N-(1,1-dimethoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 116699143
2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 116699479
3-[1-[3-chloro-5-(trifluoromethyl)anilino]ethyl]phenol
CID 116698960
3-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)aniline
CID 116698896
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide (CID 116699575) is N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide is CC(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide?
The InChIKey is JOUKQGABSOESBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O/c1-8(12(21)20-13(2,3)4)19-11-6-9(14(16,17)18)5-10(15)7-11/h5-8,19H,1-4H3,(H,20,21).
What are the key properties of N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide?
N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide has a molecular weight of 322.76 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 116699575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).