N-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide

C16H13ClN4O2 — CID 122188137

IUPACN-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN4O2/c17-12-1-5-14(6-2-12)23-15-7-3-13(4-8-15)20-16(22)9-21-11-18-10-19-21/h1-8,10-11H,9H2,(H,20,22)
InChIKeyJGTDDIFYKLEQAT-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.36
Rot. Bonds5

About N-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 122188137) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID122188137
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN4O2/c17-12-1-5-14(6-2-12)23-15-7-3-13(4-8-15)20-16(22)9-21-11-18-10-19-21/h1-8,10-11H,9H2,(H,20,22)
InChIKeyJGTDDIFYKLEQAT-UHFFFAOYSA-N
XLogP3.36
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990128
N-(5-chloro-2-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990132
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(4-methoxyphenoxy)butanamide
CID 18084485
2-(3-nitro-1,2,4-triazol-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 52280989
N-[4-(4-chlorophenoxy)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 122188135
N-[4-(4-fluorophenoxy)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 122188136
N-[4-(4-chlorophenoxy)phenyl]-3-(3-nitro-1,2,4-triazol-1-yl)propanamide
CID 145974019
3-(3-nitro-1,2,4-triazol-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 145978792
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
CID 9119281
N-[4-(4-chlorophenoxy)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1301813
N-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-3-carboxamide
CID 977203
N-(4-ethoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15944271

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 122188137) is N-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is JGTDDIFYKLEQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-12-1-5-14(6-2-12)23-15-7-3-13(4-8-15)20-16(22)9-21-11-18-10-19-21/h1-8,10-11H,9H2,(H,20,22).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 328.76 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 122188137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).