(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide

C17H15ClN2O3 — CID 7757420

IUPAC(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
SMILESCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O3/c1-11(17(21)20-14-6-4-13(18)5-7-14)23-15-8-3-12(10-19)9-16(15)22-2/h3-9,11H,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyYZMOYWPICBQEKL-LLVKDONJSA-N
MW330.77 g/mol
LogP3.63
Rot. Bonds5

About (2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide

(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide (PubChem CID 7757420) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
PubChem CID7757420
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
SMILESCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O3/c1-11(17(21)20-14-6-4-13(18)5-7-14)23-15-8-3-12(10-19)9-16(15)22-2/h3-9,11H,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyYZMOYWPICBQEKL-LLVKDONJSA-N
XLogP3.63
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
CID 8978421
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 51545374
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 16511712
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
N-[4-[(2R)-2-(4-cyano-2-methoxyphenoxy)propanoyl]phenyl]-2-methylpropanamide
CID 9459206
(2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757274
(2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 8978416
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 7757378
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528
(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)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide (CID 7757420) is (2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide is COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide?
The InChIKey is YZMOYWPICBQEKL-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-11(17(21)20-14-6-4-13(18)5-7-14)23-15-8-3-12(10-19)9-16(15)22-2/h3-9,11H,1-2H3,(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide?
(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide has a molecular weight of 330.77 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide is sourced from PubChem (CID 7757420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).