2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide

C12H13ClN2O2 — CID 118436983

IUPAC2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide
SMILESN#Cc1cccc(OCCCNC(=O)CCl)c1
InChIInChI=1S/C12H13ClN2O2/c13-8-12(16)15-5-2-6-17-11-4-1-3-10(7-11)9-14/h1,3-4,7H,2,5-6,8H2,(H,15,16)
InChIKeyFWVFRJXLAMRQPR-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.68
Rot. Bonds6

About 2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide

2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide (PubChem CID 118436983) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide
PubChem CID118436983
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide
SMILESN#Cc1cccc(OCCCNC(=O)CCl)c1
InChIInChI=1S/C12H13ClN2O2/c13-8-12(16)15-5-2-6-17-11-4-1-3-10(7-11)9-14/h1,3-4,7H,2,5-6,8H2,(H,15,16)
InChIKeyFWVFRJXLAMRQPR-UHFFFAOYSA-N
XLogP1.68
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide
CID 68829328
N-[2-(3-cyanophenoxy)ethyl]acetamide
CID 176934412
2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9457314
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-cyanobenzoate
CID 18193603
3-(5-oxohexoxy)benzonitrile
CID 62030651
N-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420847
3-[2-(tert-butylamino)ethoxy]benzonitrile
CID 60981282
2-chloro-N-[2-[4-(cyanomethyl)phenoxy]ethyl]acetamide
CID 146086113
3-[2-(3-chlorophenoxy)ethoxy]benzonitrile
CID 43213521
2-chloro-4-[2-(3-cyanophenoxy)ethylamino]benzamide
CID 71998009
1-[2-(3-bromophenoxy)ethyl]-3-(3-cyanophenyl)urea
CID 112971253
N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide?
The IUPAC name of 2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide (CID 118436983) is 2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide is N#Cc1cccc(OCCCNC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide?
The InChIKey is FWVFRJXLAMRQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-8-12(16)15-5-2-6-17-11-4-1-3-10(7-11)9-14/h1,3-4,7H,2,5-6,8H2,(H,15,16).
What are the key properties of 2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide?
2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide has a molecular weight of 252.70 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide is sourced from PubChem (CID 118436983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).