N-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C15H19ClN4O2 — CID 166241134

IUPACN-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NC(C)Cc2ccccc2Cl)c(=O)n1C
InChIInChI=1S/C15H19ClN4O2/c1-10(8-12-6-4-5-7-13(12)16)17-14(21)9-20-15(22)19(3)11(2)18-20/h4-7,10H,8-9H2,1-3H3,(H,17,21)
InChIKeyQCHOXFNAOIEVKC-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.29
Rot. Bonds5

About N-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 166241134) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID166241134
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NC(C)Cc2ccccc2Cl)c(=O)n1C
InChIInChI=1S/C15H19ClN4O2/c1-10(8-12-6-4-5-7-13(12)16)17-14(21)9-20-15(22)19(3)11(2)18-20/h4-7,10H,8-9H2,1-3H3,(H,17,21)
InChIKeyQCHOXFNAOIEVKC-UHFFFAOYSA-N
XLogP1.29
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-(2-chlorophenyl)propan-2-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 94200772
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 166241304
N-[(2R)-1-(2-chlorophenyl)propan-2-yl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 51949765
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929
4-acetyl-N-[1-(2-chlorophenyl)propan-2-yl]piperazine-1-carboxamide
CID 110675407
N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide
CID 42961637
ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate
CID 110675422
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
3-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]pentanamide
CID 81075633
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
CID 79025472
N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide
CID 62210178
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 166241134) is N-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide is Cc1nn(CC(=O)NC(C)Cc2ccccc2Cl)c(=O)n1C.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is QCHOXFNAOIEVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-10(8-12-6-4-5-7-13(12)16)17-14(21)9-20-15(22)19(3)11(2)18-20/h4-7,10H,8-9H2,1-3H3,(H,17,21).
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 322.80 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 166241134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).