4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide

C20H26FN5O2 — CID 169412050

IUPAC4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide
SMILESCc1cc(C(=O)NC2CCC(C(=O)NCCc3ncnn3C)CC2)ccc1F
InChIInChI=1S/C20H26FN5O2/c1-13-11-15(5-8-17(13)21)20(28)25-16-6-3-14(4-7-16)19(27)22-10-9-18-23-12-24-26(18)2/h5,8,11-12,14,16H,3-4,6-7,9-10H2,1-2H3,(H,22,27)(H,25,28)
InChIKeyVAEWLZOKDYRCDH-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.91
Rot. Bonds6

About 4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide

4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide (PubChem CID 169412050) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide
PubChem CID169412050
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC Name4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide
SMILESCc1cc(C(=O)NC2CCC(C(=O)NCCc3ncnn3C)CC2)ccc1F
InChIInChI=1S/C20H26FN5O2/c1-13-11-15(5-8-17(13)21)20(28)25-16-6-3-14(4-7-16)19(27)22-10-9-18-23-12-24-26(18)2/h5,8,11-12,14,16H,3-4,6-7,9-10H2,1-2H3,(H,22,27)(H,25,28)
InChIKeyVAEWLZOKDYRCDH-UHFFFAOYSA-N
XLogP1.91
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide with MolForge

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Related Compounds

6-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 169420836
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80710118
N-(1,1-dioxothian-4-yl)-4-fluoro-3-methylbenzamide
CID 63212616
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
CID 91659401
4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470275
N-[1-(cyanomethyl)piperidin-4-yl]-4-fluoro-3-methylbenzamide
CID 63625209
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide
CID 136664769
4-fluoro-3-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 95226291
N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclopentanecarboxamide
CID 82122155

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide (CID 169412050) is 4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide is Cc1cc(C(=O)NC2CCC(C(=O)NCCc3ncnn3C)CC2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide?
The InChIKey is VAEWLZOKDYRCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c1-13-11-15(5-8-17(13)21)20(28)25-16-6-3-14(4-7-16)19(27)22-10-9-18-23-12-24-26(18)2/h5,8,11-12,14,16H,3-4,6-7,9-10H2,1-2H3,(H,22,27)(H,25,28).
What are the key properties of 4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide?
4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide has a molecular weight of 387.46 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide is sourced from PubChem (CID 169412050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).