N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide

C17H20F2N4O2 — CID 91794017

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide
SMILESCOc1ccc(F)c(F)c1C(=O)NCc1nncn1C1CCCCC1
InChIInChI=1S/C17H20F2N4O2/c1-25-13-8-7-12(18)16(19)15(13)17(24)20-9-14-22-21-10-23(14)11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,20,24)
InChIKeyRTUREWDOKFVKQM-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.00
Rot. Bonds5

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide (PubChem CID 91794017) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide
PubChem CID91794017
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide
SMILESCOc1ccc(F)c(F)c1C(=O)NCc1nncn1C1CCCCC1
InChIInChI=1S/C17H20F2N4O2/c1-25-13-8-7-12(18)16(19)15(13)17(24)20-9-14-22-21-10-23(14)11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,20,24)
InChIKeyRTUREWDOKFVKQM-UHFFFAOYSA-N
XLogP3.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide
CID 131922619
(2S)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 97189861
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 90650095
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 131951388
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 70784422
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methoxyethanamine
CID 79270074
(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 97204908
5-chloro-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90653950
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 56560569
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 121497569
3-(cyclopropylmethoxymethyl)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluorobenzamide
CID 71994853
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide
CID 91843426

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide (CID 91794017) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide is COc1ccc(F)c(F)c1C(=O)NCc1nncn1C1CCCCC1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide?
The InChIKey is RTUREWDOKFVKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-25-13-8-7-12(18)16(19)15(13)17(24)20-9-14-22-21-10-23(14)11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,20,24).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide has a molecular weight of 350.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide is sourced from PubChem (CID 91794017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).