(3R)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide

C13H15ClN4O2 — CID 8722031

IUPAC(3R)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C[C@@H](C)n1cncn1
InChIInChI=1S/C13H15ClN4O2/c1-9(18-8-15-7-16-18)5-13(19)17-11-6-10(14)3-4-12(11)20-2/h3-4,6-9H,5H2,1-2H3,(H,17,19)/t9-/m1/s1
InChIKeyXAQVHGSPZMCWCS-SECBINFHSA-N
MW294.74 g/mol
LogP2.53
Rot. Bonds5

About (3R)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide

(3R)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide (PubChem CID 8722031) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
PubChem CID8722031
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name(3R)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C[C@@H](C)n1cncn1
InChIInChI=1S/C13H15ClN4O2/c1-9(18-8-15-7-16-18)5-13(19)17-11-6-10(14)3-4-12(11)20-2/h3-4,6-9H,5H2,1-2H3,(H,17,19)/t9-/m1/s1
InChIKeyXAQVHGSPZMCWCS-SECBINFHSA-N
XLogP2.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of (3R)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide (CID 8722031) is (3R)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for (3R)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide is COc1ccc(Cl)cc1NC(=O)C[C@@H](C)n1cncn1.
What is the InChIKey of (3R)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is XAQVHGSPZMCWCS-SECBINFHSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-9(18-8-15-7-16-18)5-13(19)17-11-6-10(14)3-4-12(11)20-2/h3-4,6-9H,5H2,1-2H3,(H,17,19)/t9-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide?
(3R)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 294.74 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 8722031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).