2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide

C12H13ClN4O2 — CID 2996451

IUPAC2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ncn[nH]2)ccc1Cl
InChIInChI=1S/C12H13ClN4O2/c1-7-5-9(3-4-10(7)13)19-8(2)11(18)16-12-14-6-15-17-12/h3-6,8H,1-2H3,(H2,14,15,16,17,18)
InChIKeyHNJPWGPDQMHPAY-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.17
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide

2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 2996451) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID2996451
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ncn[nH]2)ccc1Cl
InChIInChI=1S/C12H13ClN4O2/c1-7-5-9(3-4-10(7)13)19-8(2)11(18)16-12-14-6-15-17-12/h3-6,8H,1-2H3,(H2,14,15,16,17,18)
InChIKeyHNJPWGPDQMHPAY-UHFFFAOYSA-N
XLogP2.17
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 704205
Acetamide, 2-(2,4-dichlorophenoxy)-N-(s-triazol-3-yl)-
CID 99363
2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 720861
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698942
2-(2,3-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 674929
2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
CID 851478
N-(2-butyl-2H-tetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 2219062
2-(3-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)propanamide
CID 6471361
2-(2-chlorophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 698936
2-(4-chloro-3,5-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 703736
N-((1H-1,2,4-triazol-3-yl)methyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 53319488
4-(4-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 1565131

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 2996451) is 2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide is Cc1cc(OC(C)C(=O)Nc2ncn[nH]2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is HNJPWGPDQMHPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-7-5-9(3-4-10(7)13)19-8(2)11(18)16-12-14-6-15-17-12/h3-6,8H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 280.72 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 2996451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).