(2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide

C18H23FN2O4 — CID 94130346

IUPAC(2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide
SMILESO=C(Nc1cc(NC(=O)[C@@H]2COCCO2)ccc1F)C1CCCCC1
InChIInChI=1S/C18H23FN2O4/c19-14-7-6-13(20-18(23)16-11-24-8-9-25-16)10-15(14)21-17(22)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9,11H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyJDVZVSVXSQPNLQ-INIZCTEOSA-N
MW350.39 g/mol
LogP2.70
Rot. Bonds4

About (2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide

(2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide (PubChem CID 94130346) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is (2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide
PubChem CID94130346
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name(2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide
SMILESO=C(Nc1cc(NC(=O)[C@@H]2COCCO2)ccc1F)C1CCCCC1
InChIInChI=1S/C18H23FN2O4/c19-14-7-6-13(20-18(23)16-11-24-8-9-25-16)10-15(14)21-17(22)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9,11H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyJDVZVSVXSQPNLQ-INIZCTEOSA-N
XLogP2.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 78888966
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
N-(2-fluoro-5-sulfamoylphenyl)-1,4-dioxane-2-carboxamide
CID 62803145
cis-(1R,3S)-3-[[3-(cyclohexanecarbonylamino)-4-fluorophenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065318
(E)-3-[5-(1,4-dioxane-2-carbonylamino)-2-fluorophenyl]prop-2-enoic acid
CID 104781366
(2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 52501690
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
CID 55722774
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide
CID 55722520

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of (2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide (CID 94130346) is (2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide is O=C(Nc1cc(NC(=O)[C@@H]2COCCO2)ccc1F)C1CCCCC1.
What is the InChIKey of (2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide?
The InChIKey is JDVZVSVXSQPNLQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23FN2O4/c19-14-7-6-13(20-18(23)16-11-24-8-9-25-16)10-15(14)21-17(22)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9,11H2,(H,20,23)(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide?
(2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 94130346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).