2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide

C11H11ClN2O2 — CID 86815497

IUPAC2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide
SMILESCOc1cccc(Cl)c1CC(=O)NCC#N
InChIInChI=1S/C11H11ClN2O2/c1-16-10-4-2-3-9(12)8(10)7-11(15)14-6-5-13/h2-4H,6-7H2,1H3,(H,14,15)
InChIKeyADRZNPKHDNZXTP-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.53
Rot. Bonds4

About 2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide

2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide (PubChem CID 86815497) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide
PubChem CID86815497
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide
SMILESCOc1cccc(Cl)c1CC(=O)NCC#N
InChIInChI=1S/C11H11ClN2O2/c1-16-10-4-2-3-9(12)8(10)7-11(15)14-6-5-13/h2-4H,6-7H2,1H3,(H,14,15)
InChIKeyADRZNPKHDNZXTP-UHFFFAOYSA-N
XLogP1.53
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
3-(2-chloro-6-methoxyphenyl)-2-oxopropanoic acid
CID 104816509
2-(2-chloro-6-methoxyphenyl)-N-cyclohexylacetamide
CID 69037841
2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide
CID 86793604
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid
CID 120689371
2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-(cyanomethyl)acetamide
CID 114319727
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(cyanomethyl)acetamide
CID 82481590
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 99834666
(2S)-2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 57102690

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide (CID 86815497) is 2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide is COc1cccc(Cl)c1CC(=O)NCC#N.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide?
The InChIKey is ADRZNPKHDNZXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-16-10-4-2-3-9(12)8(10)7-11(15)14-6-5-13/h2-4H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide?
2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide has a molecular weight of 238.67 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 86815497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).