2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide

C17H14Cl2N2O3 — CID 7893268

IUPAC2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
SMILESCOc1cc(C#N)cc(Cl)c1OCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H14Cl2N2O3/c1-23-15-7-12(8-20)6-14(19)17(15)24-10-16(22)21-9-11-3-2-4-13(18)5-11/h2-7H,9-10H2,1H3,(H,21,22)
InChIKeyFYDQWUDGZVUCDH-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.57
Rot. Bonds6

About 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide

2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 7893268) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID7893268
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
SMILESCOc1cc(C#N)cc(Cl)c1OCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H14Cl2N2O3/c1-23-15-7-12(8-20)6-14(19)17(15)24-10-16(22)21-9-11-3-2-4-13(18)5-11/h2-7H,9-10H2,1H3,(H,21,22)
InChIKeyFYDQWUDGZVUCDH-UHFFFAOYSA-N
XLogP3.57
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide
CID 7893217
N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide
CID 51142104
N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123
N-[(3-chlorophenyl)methyl]-2-(3-cyanophenoxy)acetamide
CID 7963971
2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9371909
methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate
CID 7893243
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 8018219
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide (CID 7893268) is 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide is COc1cc(C#N)cc(Cl)c1OCC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is FYDQWUDGZVUCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-23-15-7-12(8-20)6-14(19)17(15)24-10-16(22)21-9-11-3-2-4-13(18)5-11/h2-7H,9-10H2,1H3,(H,21,22).
What are the key properties of 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide?
2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 365.22 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 7893268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).