N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide

C12H13ClN4O — CID 110691406

IUPACN-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H13ClN4O/c1-17-15-8-11(16-17)12(18)14-7-6-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,18)
InChIKeyMUUDFILZIWBCCU-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.44
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide (PubChem CID 110691406) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide
PubChem CID110691406
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H13ClN4O/c1-17-15-8-11(16-17)12(18)14-7-6-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,18)
InChIKeyMUUDFILZIWBCCU-UHFFFAOYSA-N
XLogP1.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide
CID 109285769
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039
N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110853496
N-[2-(4-chlorophenyl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853491
N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 134787708
2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109309788
5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109181634
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide (CID 110691406) is N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide is Cn1ncc(C(=O)NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide?
The InChIKey is MUUDFILZIWBCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-17-15-8-11(16-17)12(18)14-7-6-9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,18).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide is sourced from PubChem (CID 110691406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).