N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide

C11H8ClN5O — CID 103747510

IUPACN-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESN#Cc1ccc(Cl)c(NC(=O)Cn2cncn2)c1
InChIInChI=1S/C11H8ClN5O/c12-9-2-1-8(4-13)3-10(9)16-11(18)5-17-7-14-6-15-17/h1-3,6-7H,5H2,(H,16,18)
InChIKeyLLCKQQGOFUYIFN-UHFFFAOYSA-N
MW261.67 g/mol
LogP1.44
Rot. Bonds3

About N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 103747510) has the molecular formula C11H8ClN5O and a molecular weight of 261.67 g/mol. Its IUPAC name is N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID103747510
Molecular FormulaC11H8ClN5O
Molecular Weight261.67 g/mol
Exact Mass261.04
IUPAC NameN-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESN#Cc1ccc(Cl)c(NC(=O)Cn2cncn2)c1
InChIInChI=1S/C11H8ClN5O/c12-9-2-1-8(4-13)3-10(9)16-11(18)5-17-7-14-6-15-17/h1-3,6-7H,5H2,(H,16,18)
InChIKeyLLCKQQGOFUYIFN-UHFFFAOYSA-N
XLogP1.44
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 62915060
N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 103479652
N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 113234244
N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 64788698
N-(2-chloro-5-iodophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 113255623
2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide
CID 47120496
N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide
CID 103513783
[2-chloro-4-[5-cyano-2-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]sulfamic acid
CID 90925686
5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid
CID 61405729
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 60803537
N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 115683262
N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 16788926

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 103747510) is N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide is N#Cc1ccc(Cl)c(NC(=O)Cn2cncn2)c1.
What is the InChIKey of N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is LLCKQQGOFUYIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O/c12-9-2-1-8(4-13)3-10(9)16-11(18)5-17-7-14-6-15-17/h1-3,6-7H,5H2,(H,16,18).
What are the key properties of N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 261.67 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 103747510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).