N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide

C14H17Cl2N3O2 — CID 60888684

IUPACN-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide
SMILESCCCNCc1cc(Cl)cc(Cl)c1OCC(=O)NCC#N
InChIInChI=1S/C14H17Cl2N3O2/c1-2-4-18-8-10-6-11(15)7-12(16)14(10)21-9-13(20)19-5-3-17/h6-7,18H,2,4-5,8-9H2,1H3,(H,19,20)
InChIKeyMXJPHQVHEVWCHH-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.51
Rot. Bonds8

About N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide

N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide (PubChem CID 60888684) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide
PubChem CID60888684
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC NameN-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide
SMILESCCCNCc1cc(Cl)cc(Cl)c1OCC(=O)NCC#N
InChIInChI=1S/C14H17Cl2N3O2/c1-2-4-18-8-10-6-11(15)7-12(16)14(10)21-9-13(20)19-5-3-17/h6-7,18H,2,4-5,8-9H2,1H3,(H,19,20)
InChIKeyMXJPHQVHEVWCHH-UHFFFAOYSA-N
XLogP2.51
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43515791
2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide
CID 104664816
3,5-dichloro-2-[2-(cyanomethylamino)-2-oxoethoxy]benzoic acid
CID 43516070
N-(cyanomethyl)-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide
CID 115953401
2-[4-bromo-2-(propylaminomethyl)phenoxy]-N-(cyanomethyl)acetamide
CID 60882931
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486646
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyanomethyl)acetamide
CID 104666010
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide
CID 43516177
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide
CID 60907526
N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449939
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486830

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide (CID 60888684) is N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide is CCCNCc1cc(Cl)cc(Cl)c1OCC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide?
The InChIKey is MXJPHQVHEVWCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-2-4-18-8-10-6-11(15)7-12(16)14(10)21-9-13(20)19-5-3-17/h6-7,18H,2,4-5,8-9H2,1H3,(H,19,20).
What are the key properties of N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide?
N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide has a molecular weight of 330.22 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 60888684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).