N-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide

C18H22FN5O2 — CID 156514262

IUPACN-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide
SMILESO=C(Cn1ncnc1C(=O)NC1CCCCC1)NCc1cccc(F)c1
InChIInChI=1S/C18H22FN5O2/c19-14-6-4-5-13(9-14)10-20-16(25)11-24-17(21-12-22-24)18(26)23-15-7-2-1-3-8-15/h4-6,9,12,15H,1-3,7-8,10-11H2,(H,20,25)(H,23,26)
InChIKeyFJOHGMFUQMGABM-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.80
Rot. Bonds6

About N-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide

N-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide (PubChem CID 156514262) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide
PubChem CID156514262
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC NameN-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide
SMILESO=C(Cn1ncnc1C(=O)NC1CCCCC1)NCc1cccc(F)c1
InChIInChI=1S/C18H22FN5O2/c19-14-6-4-5-13(9-14)10-20-16(25)11-24-17(21-12-22-24)18(26)23-15-7-2-1-3-8-15/h4-6,9,12,15H,1-3,7-8,10-11H2,(H,20,25)(H,23,26)
InChIKeyFJOHGMFUQMGABM-UHFFFAOYSA-N
XLogP1.80
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-Ethylphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 590730
N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide
CID 3299775
N-(2-phenylethyl)-1H-1,2,4-triazole-3-carboxamide
CID 1378149
N-Benzyl-1H-1,2,4-triazole-3-carboxamide
CID 1072357
N-[(1S)-1-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 11957302
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 24794018
[(1R)-1-[(1-benzyl-1,2,4-triazole-3-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155563323
2-(3,5-diphenyl-1H-1,2,4-triazol-1-yl)acetamide
CID 855851
N-(2,5-difluorobenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3836485
US10947226, Example 15
CID 139368111
US10947226, Example 9
CID 139368131
US10947226, Example 4
CID 139368149

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide (CID 156514262) is N-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide is O=C(Cn1ncnc1C(=O)NC1CCCCC1)NCc1cccc(F)c1.
What is the InChIKey of N-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is FJOHGMFUQMGABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c19-14-6-4-5-13(9-14)10-20-16(25)11-24-17(21-12-22-24)18(26)23-15-7-2-1-3-8-15/h4-6,9,12,15H,1-3,7-8,10-11H2,(H,20,25)(H,23,26).
What are the key properties of N-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide?
N-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 156514262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).