2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide

C15H19ClN4O — CID 71983096

IUPAC2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide
SMILESCc1nncn1CCNC(=O)C(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN4O/c1-11-19-18-10-20(11)8-7-17-14(21)15(2,3)12-5-4-6-13(16)9-12/h4-6,9-10H,7-8H2,1-3H3,(H,17,21)
InChIKeyKMWRKOQVMWAOKF-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.33
Rot. Bonds5

About 2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide

2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide (PubChem CID 71983096) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide
PubChem CID71983096
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide
SMILESCc1nncn1CCNC(=O)C(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN4O/c1-11-19-18-10-20(11)8-7-17-14(21)15(2,3)12-5-4-6-13(16)9-12/h4-6,9-10H,7-8H2,1-3H3,(H,17,21)
InChIKeyKMWRKOQVMWAOKF-UHFFFAOYSA-N
XLogP2.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide?
The IUPAC name of 2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide (CID 71983096) is 2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide is Cc1nncn1CCNC(=O)C(C)(C)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide?
The InChIKey is KMWRKOQVMWAOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-11-19-18-10-20(11)8-7-17-14(21)15(2,3)12-5-4-6-13(16)9-12/h4-6,9-10H,7-8H2,1-3H3,(H,17,21).
What are the key properties of 2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide?
2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide has a molecular weight of 306.80 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 71983096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).