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

C18H17ClN2O3 — CID 20992512

IUPACN-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide
SMILESCOc1ccc(CNC(=O)CC#N)c(OCc2ccccc2Cl)c1
InChIInChI=1S/C18H17ClN2O3/c1-23-15-7-6-13(11-21-18(22)8-9-20)17(10-15)24-12-14-4-2-3-5-16(14)19/h2-7,10H,8,11-12H2,1H3,(H,21,22)
InChIKeyOKYDORFXQPRHGK-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.46
Rot. Bonds7

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

N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide (PubChem CID 20992512) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide
PubChem CID20992512
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide
SMILESCOc1ccc(CNC(=O)CC#N)c(OCc2ccccc2Cl)c1
InChIInChI=1S/C18H17ClN2O3/c1-23-15-7-6-13(11-21-18(22)8-9-20)17(10-15)24-12-14-4-2-3-5-16(14)19/h2-7,10H,8,11-12H2,1H3,(H,21,22)
InChIKeyOKYDORFXQPRHGK-UHFFFAOYSA-N
XLogP3.46
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]acetamide
CID 20988878
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20986144
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide
CID 20994358
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
4-[2-[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]ethylamino]-4-oxobutanoic acid
CID 22681232
N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 20988423
N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985367
N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 60878145
1-[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880037
N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide
CID 20985777
2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide
CID 22685010
2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20990085

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide?
The IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide (CID 20992512) is N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide is COc1ccc(CNC(=O)CC#N)c(OCc2ccccc2Cl)c1.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide?
The InChIKey is OKYDORFXQPRHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-23-15-7-6-13(11-21-18(22)8-9-20)17(10-15)24-12-14-4-2-3-5-16(14)19/h2-7,10H,8,11-12H2,1H3,(H,21,22).
What are the key properties of N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide?
N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide has a molecular weight of 344.80 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-cyanoacetamide is sourced from PubChem (CID 20992512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).