N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide

C16H13ClF3NO2 — CID 3259116

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H13ClF3NO2/c1-10(23-12-5-3-2-4-6-12)15(22)21-14-9-11(16(18,19)20)7-8-13(14)17/h2-10H,1H3,(H,21,22)
InChIKeyTWEBDFGKGNBKES-UHFFFAOYSA-N
MW343.73 g/mol
LogP4.76
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide (PubChem CID 3259116) has the molecular formula C16H13ClF3NO2 and a molecular weight of 343.73 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
PubChem CID3259116
Molecular FormulaC16H13ClF3NO2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H13ClF3NO2/c1-10(23-12-5-3-2-4-6-12)15(22)21-14-9-11(16(18,19)20)7-8-13(14)17/h2-10H,1H3,(H,21,22)
InChIKeyTWEBDFGKGNBKES-UHFFFAOYSA-N
XLogP4.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)propanamide
CID 8012046
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019991
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 53266514
[(2R)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7696603
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)propanoate
CID 3275818
N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide
CID 4055440
4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide
CID 4055433
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 18281244
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
methyl 4-chloro-3-[[(2S)-2-phenoxypropanoyl]amino]benzoate
CID 1041019

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide (CID 3259116) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide?
The InChIKey is TWEBDFGKGNBKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2/c1-10(23-12-5-3-2-4-6-12)15(22)21-14-9-11(16(18,19)20)7-8-13(14)17/h2-10H,1H3,(H,21,22).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide has a molecular weight of 343.73 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 3259116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).