2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide

C11H11ClN4O2 — CID 166414959

IUPAC2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(OCc2ncn[nH]2)cc1
InChIInChI=1S/C11H11ClN4O2/c12-5-11(17)15-8-1-3-9(4-2-8)18-6-10-13-7-14-16-10/h1-4,7H,5-6H2,(H,15,17)(H,13,14,16)
InChIKeyMPYCPSGBGZAQQB-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.56
Rot. Bonds5

About 2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide

2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide (PubChem CID 166414959) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide
PubChem CID166414959
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(OCc2ncn[nH]2)cc1
InChIInChI=1S/C11H11ClN4O2/c12-5-11(17)15-8-1-3-9(4-2-8)18-6-10-13-7-14-16-10/h1-4,7H,5-6H2,(H,15,17)(H,13,14,16)
InChIKeyMPYCPSGBGZAQQB-UHFFFAOYSA-N
XLogP1.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-(phenoxymethyl)phenyl]acetamide
CID 82108856
N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide
CID 166321510
2-chloro-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 2782070
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 13013378
2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide
CID 12585306
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387
N-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 5299638
2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide
CID 161093004
2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide
CID 166404220
1-(4-aminophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64531181
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide (CID 166414959) is 2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide is O=C(CCl)Nc1ccc(OCc2ncn[nH]2)cc1.
What is the InChIKey of 2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide?
The InChIKey is MPYCPSGBGZAQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c12-5-11(17)15-8-1-3-9(4-2-8)18-6-10-13-7-14-16-10/h1-4,7H,5-6H2,(H,15,17)(H,13,14,16).
What are the key properties of 2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide?
2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide has a molecular weight of 266.69 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 166414959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).