(2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide

C10H9ClFN5O2 — CID 95768222

IUPAC(2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide
SMILESC[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C10H9ClFN5O2/c1-5(9(18)13-10-14-16-17-15-10)19-8-3-2-6(12)4-7(8)11/h2-5H,1H3,(H2,13,14,15,16,17,18)/t5-/m0/s1
InChIKeyHGABRRSVHQIOGW-YFKPBYRVSA-N
MW285.67 g/mol
LogP1.40
Rot. Bonds4

About (2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide

(2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide (PubChem CID 95768222) has the molecular formula C10H9ClFN5O2 and a molecular weight of 285.67 g/mol. Its IUPAC name is (2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide
PubChem CID95768222
Molecular FormulaC10H9ClFN5O2
Molecular Weight285.67 g/mol
Exact Mass285.04
IUPAC Name(2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide
SMILESC[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C10H9ClFN5O2/c1-5(9(18)13-10-14-16-17-15-10)19-8-3-2-6(12)4-7(8)11/h2-5H,1H3,(H2,13,14,15,16,17,18)/t5-/m0/s1
InChIKeyHGABRRSVHQIOGW-YFKPBYRVSA-N
XLogP1.40
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.67
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide (CID 95768222) is (2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide is C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nn[nH]n1.
What is the InChIKey of (2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide?
The InChIKey is HGABRRSVHQIOGW-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H9ClFN5O2/c1-5(9(18)13-10-14-16-17-15-10)19-8-3-2-6(12)4-7(8)11/h2-5H,1H3,(H2,13,14,15,16,17,18)/t5-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide?
(2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide has a molecular weight of 285.67 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-4-fluorophenoxy)-N-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 95768222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).