2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

C14H17ClN4O2 — CID 103716292

IUPAC2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C14H17ClN4O2/c1-8-6-11(15)4-5-12(8)21-10(3)14(20)18-9(2)13-16-7-17-19-13/h4-7,9-10H,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyOWOXVKGVBCDODZ-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.41
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (PubChem CID 103716292) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
PubChem CID103716292
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C14H17ClN4O2/c1-8-6-11(15)4-5-12(8)21-10(3)14(20)18-9(2)13-16-7-17-19-13/h4-7,9-10H,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyOWOXVKGVBCDODZ-UHFFFAOYSA-N
XLogP2.41
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 81047647
2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103716433
ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate
CID 47494461
5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716401
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 8709004
2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
CID 2932831

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (CID 103716292) is 2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The InChIKey is OWOXVKGVBCDODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-8-6-11(15)4-5-12(8)21-10(3)14(20)18-9(2)13-16-7-17-19-13/h4-7,9-10H,1-3H3,(H,18,20)(H,16,17,19).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide has a molecular weight of 308.77 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 103716292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).