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

C14H13ClFNO2S — CID 86909514

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(Oc1ccc(F)cc1Cl)C(=O)NCc1cccs1
InChIInChI=1S/C14H13ClFNO2S/c1-9(14(18)17-8-11-3-2-6-20-11)19-13-5-4-10(16)7-12(13)15/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyKLDPWLRJHKVYJL-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.62
Rot. Bonds5

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

2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 86909514) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID86909514
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(Oc1ccc(F)cc1Cl)C(=O)NCc1cccs1
InChIInChI=1S/C14H13ClFNO2S/c1-9(14(18)17-8-11-3-2-6-20-11)19-13-5-4-10(16)7-12(13)15/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyKLDPWLRJHKVYJL-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 18092049
(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 898910
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide
CID 119504495
(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 97064313
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8958733
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120826698
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119434380
6-[2-(2-chloro-4-fluorophenoxy)propanoylamino]hexanoic acid
CID 119220168
2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 42994656
(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 26529894
(2R)-2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8870855
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
CID 96533534

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide (CID 86909514) is 2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide is CC(Oc1ccc(F)cc1Cl)C(=O)NCc1cccs1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is KLDPWLRJHKVYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c1-9(14(18)17-8-11-3-2-6-20-11)19-13-5-4-10(16)7-12(13)15/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide?
2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 313.78 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 86909514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).