N-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide

C16H17ClN2O2 — CID 62229641

IUPACN-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide
SMILESCCN(C(=O)COc1cccc(Cl)c1)c1ccccc1N
InChIInChI=1S/C16H17ClN2O2/c1-2-19(15-9-4-3-8-14(15)18)16(20)11-21-13-7-5-6-12(17)10-13/h3-10H,2,11,18H2,1H3
InChIKeyGGIQULKBHWPPMH-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.35
Rot. Bonds5

About N-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide

N-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide (PubChem CID 62229641) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide
PubChem CID62229641
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide
SMILESCCN(C(=O)COc1cccc(Cl)c1)c1ccccc1N
InChIInChI=1S/C16H17ClN2O2/c1-2-19(15-9-4-3-8-14(15)18)16(20)11-21-13-7-5-6-12(17)10-13/h3-10H,2,11,18H2,1H3
InChIKeyGGIQULKBHWPPMH-UHFFFAOYSA-N
XLogP3.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 112977302
N-(2-aminophenyl)-N-ethyl-2-methoxyacetamide
CID 62100815
2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)-N-pyridin-2-ylacetamide
CID 23613582
2-(3-chlorophenoxy)-N-ethoxyacetamide
CID 60700548
1-(3-chlorophenoxy)-3-ethoxypropan-2-one
CID 114553807
N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 104555981
N-[(2R)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)acetamide
CID 104872802
2-(2-ethoxyphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide
CID 112779417
2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012479
N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 66185919
2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573280
2-(3-ethoxyphenoxy)-N-methylacetohydrazide
CID 116820503

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide?
The IUPAC name of N-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide (CID 62229641) is N-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide?
The canonical SMILES for N-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide is CCN(C(=O)COc1cccc(Cl)c1)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide?
The InChIKey is GGIQULKBHWPPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-19(15-9-4-3-8-14(15)18)16(20)11-21-13-7-5-6-12(17)10-13/h3-10H,2,11,18H2,1H3.
What are the key properties of N-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide?
N-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide has a molecular weight of 304.78 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide is sourced from PubChem (CID 62229641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).