N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide

C19H19ClN2O3 — CID 20994358

IUPACN-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide
SMILESCCOc1cc(CNC(=O)CC#N)ccc1OCc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O3/c1-2-24-18-11-14(12-22-19(23)9-10-21)7-8-17(18)25-13-15-5-3-4-6-16(15)20/h3-8,11H,2,9,12-13H2,1H3,(H,22,23)
InChIKeyTWLRGJVADFLTGO-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.85
Rot. Bonds8

About N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide

N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide (PubChem CID 20994358) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide
PubChem CID20994358
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide
SMILESCCOc1cc(CNC(=O)CC#N)ccc1OCc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O3/c1-2-24-18-11-14(12-22-19(23)9-10-21)7-8-17(18)25-13-15-5-3-4-6-16(15)20/h3-8,11H,2,9,12-13H2,1H3,(H,22,23)
InChIKeyTWLRGJVADFLTGO-UHFFFAOYSA-N
XLogP3.85
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990961
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20986144
N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20992512
N'-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215470
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoyl chloride
CID 46779765
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
CID 4769645
2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20989951
N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide
CID 20985777
N-[[3-chloro-5-ethoxy-4-(2-phenylethoxy)phenyl]methyl]-2-cyanoacetamide
CID 20990441
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 4716490
(2S)-2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51987540
2-[3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propylamino]ethanol
CID 17214095

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide?
The IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide (CID 20994358) is N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide.
What is the SMILES notation for N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide?
The canonical SMILES for N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide is CCOc1cc(CNC(=O)CC#N)ccc1OCc1ccccc1Cl.
What is the InChIKey of N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide?
The InChIKey is TWLRGJVADFLTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-2-24-18-11-14(12-22-19(23)9-10-21)7-8-17(18)25-13-15-5-3-4-6-16(15)20/h3-8,11H,2,9,12-13H2,1H3,(H,22,23).
What are the key properties of N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide?
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide has a molecular weight of 358.83 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide is sourced from PubChem (CID 20994358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).