N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide

C16H16ClNO2 — CID 114299206

IUPACN-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(CCCl)cc1
InChIInChI=1S/C16H16ClNO2/c17-11-10-13-6-8-14(9-7-13)18-16(19)12-20-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,18,19)
InChIKeyKPEDNOYTPNRBKM-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.49
Rot. Bonds6

About N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide

N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide (PubChem CID 114299206) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide
PubChem CID114299206
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(CCCl)cc1
InChIInChI=1S/C16H16ClNO2/c17-11-10-13-6-8-14(9-7-13)18-16(19)12-20-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,18,19)
InChIKeyKPEDNOYTPNRBKM-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide
CID 114310874
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide
CID 112984120
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982593
N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
CID 114299237
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982473
N-[4-(diethylaminomethyl)phenyl]-2-phenoxyacetamide
CID 959344
2-chloro-N-[4-(phenoxymethyl)phenyl]acetamide
CID 82108856
N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide
CID 169359471
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982725
2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide (CID 114299206) is N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(CCCl)cc1.
What is the InChIKey of N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide?
The InChIKey is KPEDNOYTPNRBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-11-10-13-6-8-14(9-7-13)18-16(19)12-20-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,18,19).
What are the key properties of N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide?
N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide has a molecular weight of 289.76 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 114299206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).