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

C10H9ClN4O — CID 43699115

IUPAC2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccccc1-n1cncn1
InChIInChI=1S/C10H9ClN4O/c11-5-10(16)14-8-3-1-2-4-9(8)15-7-12-6-13-15/h1-4,6-7H,5H2,(H,14,16)
InChIKeyOQNCRYOAYBAPPQ-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.44
Rot. Bonds3

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

2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide (PubChem CID 43699115) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
PubChem CID43699115
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccccc1-n1cncn1
InChIInChI=1S/C10H9ClN4O/c11-5-10(16)14-8-3-1-2-4-9(8)15-7-12-6-13-15/h1-4,6-7H,5H2,(H,14,16)
InChIKeyOQNCRYOAYBAPPQ-UHFFFAOYSA-N
XLogP1.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-[2-(1,2,4-triazol-1-yl)anilino]butanoic acid
CID 54867933
3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 60854707
2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 134062871
phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate
CID 60755049
2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide
CID 60847131
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 35371590
2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 60809987
(2R)-2-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79011417
2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 65225295
5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573291
5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide
CID 104683976
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide
CID 103830798

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide (CID 43699115) is 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide is O=C(CCl)Nc1ccccc1-n1cncn1.
What is the InChIKey of 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The InChIKey is OQNCRYOAYBAPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-5-10(16)14-8-3-1-2-4-9(8)15-7-12-6-13-15/h1-4,6-7H,5H2,(H,14,16).
What are the key properties of 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide?
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide has a molecular weight of 236.66 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 43699115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).