2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide

C14H13ClN2O4S — CID 18092049

IUPAC2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)NCc1cccs1
InChIInChI=1S/C14H13ClN2O4S/c1-9(14(18)16-8-11-3-2-6-22-11)21-13-5-4-10(17(19)20)7-12(13)15/h2-7,9H,8H2,1H3,(H,16,18)
InChIKeySWAJXWOVSZNMDF-UHFFFAOYSA-N
MW340.79 g/mol
LogP3.39
Rot. Bonds6

About 2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide

2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 18092049) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID18092049
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)NCc1cccs1
InChIInChI=1S/C14H13ClN2O4S/c1-9(14(18)16-8-11-3-2-6-22-11)21-13-5-4-10(17(19)20)7-12(13)15/h2-7,9H,8H2,1H3,(H,16,18)
InChIKeySWAJXWOVSZNMDF-UHFFFAOYSA-N
XLogP3.39
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 86909514
(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 9410254
(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 898910
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 8956846
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7865944
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 8956882
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate
CID 46622916
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7865912
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)propanamide
CID 8956892
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide
CID 7865952
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8956878
2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 42994656

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide (CID 18092049) is 2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide is CC(Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)NCc1cccs1.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is SWAJXWOVSZNMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S/c1-9(14(18)16-8-11-3-2-6-22-11)21-13-5-4-10(17(19)20)7-12(13)15/h2-7,9H,8H2,1H3,(H,16,18).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide?
2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 340.79 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 18092049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).