2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide

C13H15ClN4O2 — CID 15016285

IUPAC2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide
SMILESCC(Oc1ncn(-c2cccc(Cl)c2)n1)C(=O)N(C)C
InChIInChI=1S/C13H15ClN4O2/c1-9(12(19)17(2)3)20-13-15-8-18(16-13)11-6-4-5-10(14)7-11/h4-9H,1-3H3
InChIKeySBMNGGQLSIPMRQ-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.78
Rot. Bonds4

About 2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide

2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide (PubChem CID 15016285) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide
PubChem CID15016285
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide
SMILESCC(Oc1ncn(-c2cccc(Cl)c2)n1)C(=O)N(C)C
InChIInChI=1S/C13H15ClN4O2/c1-9(12(19)17(2)3)20-13-15-8-18(16-13)11-6-4-5-10(14)7-11/h4-9H,1-3H3
InChIKeySBMNGGQLSIPMRQ-UHFFFAOYSA-N
XLogP1.78
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(3-chlorophenyl)-1,2,4-triazole-3-carboxylate
CID 76849388
N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138634
[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]methanol
CID 69456348
N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138644
2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide
CID 107715840
4-chloro-2-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 61379027
2-(2-amino-5-chlorophenoxy)-N,N-dimethylpropanamide
CID 62303980
2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide
CID 43141838
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 62228733
(2S)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N,N-dimethylpropanamide
CID 8860177
2-(3-bromophenoxy)-N,N-dimethylpropanamide
CID 43085551

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide (CID 15016285) is 2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide is CC(Oc1ncn(-c2cccc(Cl)c2)n1)C(=O)N(C)C.
What is the InChIKey of 2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide?
The InChIKey is SBMNGGQLSIPMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-9(12(19)17(2)3)20-13-15-8-18(16-13)11-6-4-5-10(14)7-11/h4-9H,1-3H3.
What are the key properties of 2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide?
2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide has a molecular weight of 294.74 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]oxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 15016285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).