2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide

C16H13ClN2O2 — CID 8975576

IUPAC2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)COc1ccc(C#N)cc1Cl)c1ccccc1
InChIInChI=1S/C16H13ClN2O2/c1-19(13-5-3-2-4-6-13)16(20)11-21-15-8-7-12(10-18)9-14(15)17/h2-9H,11H2,1H3
InChIKeyYGFPLCXNKWWOGW-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.25
Rot. Bonds4

About 2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide

2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide (PubChem CID 8975576) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide
PubChem CID8975576
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)COc1ccc(C#N)cc1Cl)c1ccccc1
InChIInChI=1S/C16H13ClN2O2/c1-19(13-5-3-2-4-6-13)16(20)11-21-15-8-7-12(10-18)9-14(15)17/h2-9H,11H2,1H3
InChIKeyYGFPLCXNKWWOGW-UHFFFAOYSA-N
XLogP3.25
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide
CID 8976144
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide
CID 2492423
2-(2-chloro-4-cyanophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 8977173
3-chloro-4-[2-(2-methylphenyl)-2-oxoethoxy]benzonitrile
CID 60971514
3-chloro-4-(3-oxo-3-phenylpropoxy)benzonitrile
CID 116692131
(E)-4-(2-chloro-4-cyanophenoxy)-3-methylbut-2-enoic acid
CID 55236523
(2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide
CID 8976826
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-phenylacetamide
CID 78765522
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
2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 8977275
3-(2-chloro-4-cyanophenoxy)-2-methylpropanoic acid
CID 43538064

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide (CID 8975576) is 2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide is CN(C(=O)COc1ccc(C#N)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide?
The InChIKey is YGFPLCXNKWWOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-19(13-5-3-2-4-6-13)16(20)11-21-15-8-7-12(10-18)9-14(15)17/h2-9H,11H2,1H3.
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide?
2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide has a molecular weight of 300.75 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 8975576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).