N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide

C12H11ClN4O2 — CID 66215979

IUPACN-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C=O)nn2)c(Cl)c1
InChIInChI=1S/C12H11ClN4O2/c1-8-2-3-11(10(13)4-8)14-12(19)6-17-5-9(7-18)15-16-17/h2-5,7H,6H2,1H3,(H,14,19)
InChIKeyWCQGDRSWRPTETO-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.69
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide

N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide (PubChem CID 66215979) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide
PubChem CID66215979
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C=O)nn2)c(Cl)c1
InChIInChI=1S/C12H11ClN4O2/c1-8-2-3-11(10(13)4-8)14-12(19)6-17-5-9(7-18)15-16-17/h2-5,7H,6H2,1H3,(H,14,19)
InChIKeyWCQGDRSWRPTETO-UHFFFAOYSA-N
XLogP1.69
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide
CID 66215783
N-(3-bromophenyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66216003
1-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 62060401
N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 81444684
N-(4-bromo-2-chlorophenyl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66193871
2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 66214781
2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 51089388
N-(2-chloro-4-methylphenyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146082772
N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide
CID 66214589
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971
2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 62054655
N-(2-chloro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 23847583

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide (CID 66215979) is N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide is Cc1ccc(NC(=O)Cn2cc(C=O)nn2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide?
The InChIKey is WCQGDRSWRPTETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-8-2-3-11(10(13)4-8)14-12(19)6-17-5-9(7-18)15-16-17/h2-5,7H,6H2,1H3,(H,14,19).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide?
N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide has a molecular weight of 278.70 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide is sourced from PubChem (CID 66215979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).