2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide

C19H18Cl2N2O3 — CID 20990085

IUPAC2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CC#N)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O3/c1-25-17-4-2-3-13(8-10-23-18(24)7-9-22)19(17)26-12-14-5-6-15(20)11-16(14)21/h2-6,11H,7-8,10,12H2,1H3,(H,23,24)
InChIKeyNWFVEXDNPRBOLB-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.15
Rot. Bonds8

About 2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide

2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide (PubChem CID 20990085) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide
PubChem CID20990085
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CC#N)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O3/c1-25-17-4-2-3-13(8-10-23-18(24)7-9-22)19(17)26-12-14-5-6-15(20)11-16(14)21/h2-6,11H,7-8,10,12H2,1H3,(H,23,24)
InChIKeyNWFVEXDNPRBOLB-UHFFFAOYSA-N
XLogP4.15
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686054
2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide
CID 22686324
2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20984771
N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 20988423
2-cyano-3-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 20986379
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20986144
2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
CID 20992900
N-[2-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686252
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17289861
N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20992512
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 4722443
2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214062

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide (CID 20990085) is 2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide is COc1cccc(CCNC(=O)CC#N)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide?
The InChIKey is NWFVEXDNPRBOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-25-17-4-2-3-13(8-10-23-18(24)7-9-22)19(17)26-12-14-5-6-15(20)11-16(14)21/h2-6,11H,7-8,10,12H2,1H3,(H,23,24).
What are the key properties of 2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide?
2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide has a molecular weight of 393.27 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide is sourced from PubChem (CID 20990085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).