N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide

C22H21ClN2O2 — CID 112984120

IUPACN-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O2/c23-18-8-6-17(7-9-18)14-15-24-19-10-12-20(13-11-19)25-22(26)16-27-21-4-2-1-3-5-21/h1-13,24H,14-16H2,(H,25,26)
InChIKeyNDAUUPJJTVWHCD-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.01
Rot. Bonds8

About N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide

N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide (PubChem CID 112984120) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide
PubChem CID112984120
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC NameN-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O2/c23-18-8-6-17(7-9-18)14-15-24-19-10-12-20(13-11-19)25-22(26)16-27-21-4-2-1-3-5-21/h1-13,24H,14-16H2,(H,25,26)
InChIKeyNDAUUPJJTVWHCD-UHFFFAOYSA-N
XLogP5.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982593
N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide
CID 114299206
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982473
2-(4-chlorophenoxy)-N-[4-(2-methoxyethylamino)phenyl]acetamide
CID 112980930
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113029025
N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline
CID 54796770
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
CID 113031026
2-(4-chlorophenoxy)-N-[4-[2-(dimethylamino)ethylamino]phenyl]acetamide
CID 112981318
N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide
CID 114310874
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
CID 113028482
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide
CID 112984106

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide (CID 112984120) is N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide?
The InChIKey is NDAUUPJJTVWHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c23-18-8-6-17(7-9-18)14-15-24-19-10-12-20(13-11-19)25-22(26)16-27-21-4-2-1-3-5-21/h1-13,24H,14-16H2,(H,25,26).
What are the key properties of N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide?
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide has a molecular weight of 380.88 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 112984120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).