(2R)-2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide

C15H18ClFN4O2 — CID 96534466

IUPAC(2R)-2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide
SMILESCC(C)c1nc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)n(C)n1
InChIInChI=1S/C15H18ClFN4O2/c1-8(2)13-18-15(21(4)20-13)19-14(22)9(3)23-12-6-5-10(17)7-11(12)16/h5-9H,1-4H3,(H,18,19,20,22)/t9-/m1/s1
InChIKeyHHDWSUAFALHTFI-SECBINFHSA-N
MW340.79 g/mol
LogP3.14
Rot. Bonds5

About (2R)-2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide

(2R)-2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide (PubChem CID 96534466) has the molecular formula C15H18ClFN4O2 and a molecular weight of 340.79 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide
PubChem CID96534466
Molecular FormulaC15H18ClFN4O2
Molecular Weight340.79 g/mol
Exact Mass340.11
IUPAC Name(2R)-2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide
SMILESCC(C)c1nc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)n(C)n1
InChIInChI=1S/C15H18ClFN4O2/c1-8(2)13-18-15(21(4)20-13)19-14(22)9(3)23-12-6-5-10(17)7-11(12)16/h5-9H,1-4H3,(H,18,19,20,22)/t9-/m1/s1
InChIKeyHHDWSUAFALHTFI-SECBINFHSA-N
XLogP3.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide (CID 96534466) is (2R)-2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide is CC(C)c1nc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)n(C)n1.
What is the InChIKey of (2R)-2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is HHDWSUAFALHTFI-SECBINFHSA-N. The full InChI is InChI=1S/C15H18ClFN4O2/c1-8(2)13-18-15(21(4)20-13)19-14(22)9(3)23-12-6-5-10(17)7-11(12)16/h5-9H,1-4H3,(H,18,19,20,22)/t9-/m1/s1.
What are the key properties of (2R)-2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide?
(2R)-2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 340.79 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-fluorophenoxy)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 96534466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).