N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide

C19H19ClN2O2 — CID 8975980

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)COc1ccc(C#N)cc1Cl
InChIInChI=1S/C19H19ClN2O2/c1-3-13(2)15-6-4-5-7-17(15)22-19(23)12-24-18-9-8-14(11-21)10-16(18)20/h4-10,13H,3,12H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeyJMLLEFWVIAHNID-ZDUSSCGKSA-N
MW342.83 g/mol
LogP4.74
Rot. Bonds6

About N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide

N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide (PubChem CID 8975980) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide
PubChem CID8975980
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)COc1ccc(C#N)cc1Cl
InChIInChI=1S/C19H19ClN2O2/c1-3-13(2)15-6-4-5-7-17(15)22-19(23)12-24-18-9-8-14(11-21)10-16(18)20/h4-10,13H,3,12H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeyJMLLEFWVIAHNID-ZDUSSCGKSA-N
XLogP4.74
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7757492
2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8976737
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 959796
2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
CID 8976368
2-(2-chloro-4-cyanophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 8975756
N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide
CID 7936062
N-(2-chlorophenyl)-2-(4-cyano-2-fluorophenoxy)acetamide
CID 103792209
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611
N-(2-chloro-3-pyridinyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7992846
2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide
CID 8975814
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2378781

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide (CID 8975980) is N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide is CC[C@H](C)c1ccccc1NC(=O)COc1ccc(C#N)cc1Cl.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide?
The InChIKey is JMLLEFWVIAHNID-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-3-13(2)15-6-4-5-7-17(15)22-19(23)12-24-18-9-8-14(11-21)10-16(18)20/h4-10,13H,3,12H2,1-2H3,(H,22,23)/t13-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide?
N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide has a molecular weight of 342.83 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide is sourced from PubChem (CID 8975980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).