(2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide

C17H13ClF2N2O3 — CID 9384005

IUPAC(2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1Cl)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H13ClF2N2O3/c1-10(24-14-7-6-11(9-21)8-12(14)18)16(23)22-13-4-2-3-5-15(13)25-17(19)20/h2-8,10,17H,1H3,(H,22,23)/t10-/m1/s1
InChIKeyNGYLIJNQRTZNOX-SNVBAGLBSA-N
MW366.75 g/mol
LogP4.22
Rot. Bonds6

About (2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide

(2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide (PubChem CID 9384005) has the molecular formula C17H13ClF2N2O3 and a molecular weight of 366.75 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
PubChem CID9384005
Molecular FormulaC17H13ClF2N2O3
Molecular Weight366.75 g/mol
Exact Mass366.06
IUPAC Name(2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1Cl)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H13ClF2N2O3/c1-10(24-14-7-6-11(9-21)8-12(14)18)16(23)22-13-4-2-3-5-15(13)25-17(19)20/h2-8,10,17H,1H3,(H,22,23)/t10-/m1/s1
InChIKeyNGYLIJNQRTZNOX-SNVBAGLBSA-N
XLogP4.22
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.75
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-chloro-4-cyanophenoxy)-N-(2-nitrophenyl)propanamide
CID 8976832
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(2-nitrophenyl)propanamide
CID 8976828
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 7757378
2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
CID 60667353
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
CID 42902010
2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 24500719
[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8856462
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-methylphenyl)propanamide
CID 8976723
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9383960
(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 8976471

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of (2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide (CID 9384005) is (2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide is C[C@@H](Oc1ccc(C#N)cc1Cl)C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of (2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide?
The InChIKey is NGYLIJNQRTZNOX-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H13ClF2N2O3/c1-10(24-14-7-6-11(9-21)8-12(14)18)16(23)22-13-4-2-3-5-15(13)25-17(19)20/h2-8,10,17H,1H3,(H,22,23)/t10-/m1/s1.
What are the key properties of (2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide?
(2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide has a molecular weight of 366.75 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-cyanophenoxy)-N-[2-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 9384005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).