(2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide

C16H17ClN2O2 — CID 33475459

IUPAC(2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide
SMILESNC(=O)[C@@H](NCCOc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H17ClN2O2/c17-13-6-8-14(9-7-13)21-11-10-19-15(16(18)20)12-4-2-1-3-5-12/h1-9,15,19H,10-11H2,(H2,18,20)/t15-/m0/s1
InChIKeyKWZWQNVKYFQOBB-HNNXBMFYSA-N
MW304.78 g/mol
LogP2.54
Rot. Bonds7

About (2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide

(2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide (PubChem CID 33475459) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide
PubChem CID33475459
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide
SMILESNC(=O)[C@@H](NCCOc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H17ClN2O2/c17-13-6-8-14(9-7-13)21-11-10-19-15(16(18)20)12-4-2-1-3-5-12/h1-9,15,19H,10-11H2,(H2,18,20)/t15-/m0/s1
InChIKeyKWZWQNVKYFQOBB-HNNXBMFYSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8774164
(2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide
CID 151046372
(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide
CID 23625504
2-(butylamino)-2-phenylacetamide
CID 14569005
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-2-phenylacetamide
CID 56811334
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
2-[1-(4-chlorophenyl)ethylamino]-2-phenylacetamide
CID 51074999
3-(2-phenoxyethylamino)pentan-2-one
CID 173170118
(2S)-2-[(2-chlorophenyl)methylamino]-2-phenylacetamide
CID 33401995
(2R)-2-[(2-fluorophenyl)methylamino]-2-phenylacetamide
CID 33473493
2-(chloroamino)-2-phenylacetamide
CID 89152727
N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid
CID 2936042

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide (CID 33475459) is (2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide is NC(=O)[C@@H](NCCOc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide?
The InChIKey is KWZWQNVKYFQOBB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-13-6-8-14(9-7-13)21-11-10-19-15(16(18)20)12-4-2-1-3-5-12/h1-9,15,19H,10-11H2,(H2,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide?
(2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide has a molecular weight of 304.78 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide is sourced from PubChem (CID 33475459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).