N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methylphenoxy)propanamide

C18H17ClN4O2 — CID 24687018

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2cc(Cl)ccc2-n2cncn2)c1
InChIInChI=1S/C18H17ClN4O2/c1-12-4-3-5-15(8-12)25-13(2)18(24)22-16-9-14(19)6-7-17(16)23-11-20-10-21-23/h3-11,13H,1-2H3,(H,22,24)
InChIKeyCKGXZBLHLNPRBL-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.64
Rot. Bonds5

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

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methylphenoxy)propanamide (PubChem CID 24687018) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methylphenoxy)propanamide
PubChem CID24687018
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2cc(Cl)ccc2-n2cncn2)c1
InChIInChI=1S/C18H17ClN4O2/c1-12-4-3-5-15(8-12)25-13(2)18(24)22-16-9-14(19)6-7-17(16)23-11-20-10-21-23/h3-11,13H,1-2H3,(H,22,24)
InChIKeyCKGXZBLHLNPRBL-UHFFFAOYSA-N
XLogP3.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 17417004
2-(4-chlorophenoxy)-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 16277977
2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 16549163
2-phenoxy-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 42893203
2-(2-benzylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 9454151
4-(4-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 16263407
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(4-methoxyphenoxy)butanamide
CID 18084485
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 18084494
N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-fluoranylphenoxy)ethanamide
CID 18170239
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 18170240
2-(4-fluorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 24399025
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 24686711

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methylphenoxy)propanamide (CID 24687018) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)Nc2cc(Cl)ccc2-n2cncn2)c1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is CKGXZBLHLNPRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-12-4-3-5-15(8-12)25-13(2)18(24)22-16-9-14(19)6-7-17(16)23-11-20-10-21-23/h3-11,13H,1-2H3,(H,22,24).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methylphenoxy)propanamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 356.81 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 24687018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).