4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide

C19H25FN2O3 — CID 109146968

IUPAC4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCC1CCCO1)C1CCC(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN2O3/c20-15-7-9-16(10-8-15)22-19(24)14-5-3-13(4-6-14)18(23)21-12-17-2-1-11-25-17/h7-10,13-14,17H,1-6,11-12H2,(H,21,23)(H,22,24)
InChIKeyMOKSDWSUNZBPSP-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.87
Rot. Bonds5

About 4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide

4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109146968) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109146968
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCC1CCCO1)C1CCC(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN2O3/c20-15-7-9-16(10-8-15)22-19(24)14-5-3-13(4-6-14)18(23)21-12-17-2-1-11-25-17/h7-10,13-14,17H,1-6,11-12H2,(H,21,23)(H,22,24)
InChIKeyMOKSDWSUNZBPSP-UHFFFAOYSA-N
XLogP2.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
1-(4-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 18154535
2-(4-fluorophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981193
1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133630
4-acetamido-N-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexyl]benzamide;formic acid
CID 171339991
N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 82834678
1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133579
2-[[ethylamino-(oxolan-2-ylmethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111138849
N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide
CID 46410900

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109146968) is 4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide is O=C(NCC1CCCO1)C1CCC(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is MOKSDWSUNZBPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-15-7-9-16(10-8-15)22-19(24)14-5-3-13(4-6-14)18(23)21-12-17-2-1-11-25-17/h7-10,13-14,17H,1-6,11-12H2,(H,21,23)(H,22,24).
What are the key properties of 4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109146968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).