N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide

C14H14Cl2N4O2 — CID 86802858

IUPACN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
SMILESO=C(Cn1cn[nH]c1=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C14H14Cl2N4O2/c15-11-4-1-9(5-12(11)16)6-20(10-2-3-10)13(21)7-19-8-17-18-14(19)22/h1,4-5,8,10H,2-3,6-7H2,(H,18,22)
InChIKeyQQHLBNJEPBGRMU-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.07
Rot. Bonds5

About N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide

N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide (PubChem CID 86802858) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
PubChem CID86802858
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC NameN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
SMILESO=C(Cn1cn[nH]c1=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C14H14Cl2N4O2/c15-11-4-1-9(5-12(11)16)6-20(10-2-3-10)13(21)7-19-8-17-18-14(19)22/h1,4-5,8,10H,2-3,6-7H2,(H,18,22)
InChIKeyQQHLBNJEPBGRMU-UHFFFAOYSA-N
XLogP2.07
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide
CID 61061495
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide
CID 61061923
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide
CID 54872475
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide
CID 119740757
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide
CID 60947854
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119740768
1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide
CID 81172021
2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 65227497
N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013693
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63048207
5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide
CID 63524947
2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride
CID 119298871

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide (CID 86802858) is N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide is O=C(Cn1cn[nH]c1=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The InChIKey is QQHLBNJEPBGRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c15-11-4-1-9(5-12(11)16)6-20(10-2-3-10)13(21)7-19-8-17-18-14(19)22/h1,4-5,8,10H,2-3,6-7H2,(H,18,22).
What are the key properties of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide has a molecular weight of 341.20 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 86802858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).