N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide

C13H15ClN4O2 — CID 103028879

IUPACN-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cccc(Cl)c1-n1cncn1
InChIInChI=1S/C13H15ClN4O2/c1-13(2,20-3)12(19)17-10-6-4-5-9(14)11(10)18-8-15-7-16-18/h4-8H,1-3H3,(H,17,19)
InChIKeyPFZAASZKBQUONK-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.28
Rot. Bonds4

About N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide

N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide (PubChem CID 103028879) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide
PubChem CID103028879
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC NameN-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cccc(Cl)c1-n1cncn1
InChIInChI=1S/C13H15ClN4O2/c1-13(2,20-3)12(19)17-10-6-4-5-9(14)11(10)18-8-15-7-16-18/h4-8H,1-3H3,(H,17,19)
InChIKeyPFZAASZKBQUONK-UHFFFAOYSA-N
XLogP2.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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5-[3-chloro-2-(1,2,4-triazol-1-yl)anilino]-5-oxopentanoic acid
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N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
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3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide
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5-(tert-butylsulfamoyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide (CID 103028879) is N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1cccc(Cl)c1-n1cncn1.
What is the InChIKey of N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide?
The InChIKey is PFZAASZKBQUONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-13(2,20-3)12(19)17-10-6-4-5-9(14)11(10)18-8-15-7-16-18/h4-8H,1-3H3,(H,17,19).
What are the key properties of N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide?
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide has a molecular weight of 294.74 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103028879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).