(2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide

C12H10ClF3N2O2 — CID 99830335

IUPAC(2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](Oc1ccc(C#N)c(Cl)c1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H10ClF3N2O2/c1-7(11(19)18-6-12(14,15)16)20-9-3-2-8(5-17)10(13)4-9/h2-4,7H,6H2,1H3,(H,18,19)/t7-/m1/s1
InChIKeyBTNVLDNRZMGHBL-SSDOTTSWSA-N
MW306.67 g/mol
LogP2.66
Rot. Bonds4

About (2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide

(2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 99830335) has the molecular formula C12H10ClF3N2O2 and a molecular weight of 306.67 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID99830335
Molecular FormulaC12H10ClF3N2O2
Molecular Weight306.67 g/mol
Exact Mass306.04
IUPAC Name(2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](Oc1ccc(C#N)c(Cl)c1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H10ClF3N2O2/c1-7(11(19)18-6-12(14,15)16)20-9-3-2-8(5-17)10(13)4-9/h2-4,7H,6H2,1H3,(H,18,19)/t7-/m1/s1
InChIKeyBTNVLDNRZMGHBL-SSDOTTSWSA-N
XLogP2.66
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.67
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(3-chloro-4-cyanophenoxy)propanoate
CID 102723925
(2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide
CID 95593436
2-chloro-4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 102724664
N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide
CID 79822692
4-(3-chloro-4-cyanophenoxy)pentanoic acid
CID 102723946
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
N-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide
CID 51236662
2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 78889646
[1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
CID 46622117
[(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8856691
(2R)-2-(4-cyanophenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 9246467
2-(3,4-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430309

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide (CID 99830335) is (2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide is C[C@@H](Oc1ccc(C#N)c(Cl)c1)C(=O)NCC(F)(F)F.
What is the InChIKey of (2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is BTNVLDNRZMGHBL-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H10ClF3N2O2/c1-7(11(19)18-6-12(14,15)16)20-9-3-2-8(5-17)10(13)4-9/h2-4,7H,6H2,1H3,(H,18,19)/t7-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 306.67 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 99830335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).