2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide

C14H16Cl2N4O2 — CID 56823932

IUPAC2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCCn1cnnc1CNC(=O)C(C)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H16Cl2N4O2/c1-3-20-8-18-19-13(20)7-17-14(21)9(2)22-12-5-10(15)4-11(16)6-12/h4-6,8-9H,3,7H2,1-2H3,(H,17,21)
InChIKeyWQGJCLVFUUGETM-UHFFFAOYSA-N
MW343.21 g/mol
LogP2.69
Rot. Bonds6

About 2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide

2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 56823932) has the molecular formula C14H16Cl2N4O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID56823932
Molecular FormulaC14H16Cl2N4O2
Molecular Weight343.21 g/mol
Exact Mass342.07
IUPAC Name2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCCn1cnnc1CNC(=O)C(C)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H16Cl2N4O2/c1-3-20-8-18-19-13(20)7-17-14(21)9(2)22-12-5-10(15)4-11(16)6-12/h4-6,8-9H,3,7H2,1-2H3,(H,17,21)
InChIKeyWQGJCLVFUUGETM-UHFFFAOYSA-N
XLogP2.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide
CID 94026406
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide
CID 103813831
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 96534449
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide
CID 119385080
(2S)-2-(4-chlorophenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 51940925
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide;hydrochloride
CID 119385079
2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433605
1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 51081781
4-[2-(3,5-dichlorophenoxy)propanoylamino]butanoic acid
CID 119170699
(2S)-N-carbamoyl-2-(3,5-dichlorophenoxy)propanamide
CID 7848484
3-[2-(3,5-dichlorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 119249555

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide (CID 56823932) is 2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide is CCn1cnnc1CNC(=O)C(C)Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is WQGJCLVFUUGETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O2/c1-3-20-8-18-19-13(20)7-17-14(21)9(2)22-12-5-10(15)4-11(16)6-12/h4-6,8-9H,3,7H2,1-2H3,(H,17,21).
What are the key properties of 2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide?
2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 343.21 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 56823932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).