N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide

C16H21FN2O2 — CID 18105806

IUPACN-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NCc1ccccc1F
InChIInChI=1S/C16H21FN2O2/c17-14-9-5-4-8-13(14)10-18-15(20)11-19-16(21)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,20)(H,19,21)
InChIKeyVZKNLRIEHZCTBP-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.14
Rot. Bonds5

About N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 18105806) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID18105806
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC NameN-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NCc1ccccc1F
InChIInChI=1S/C16H21FN2O2/c17-14-9-5-4-8-13(14)10-18-15(20)11-19-16(21)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,20)(H,19,21)
InChIKeyVZKNLRIEHZCTBP-UHFFFAOYSA-N
XLogP2.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151204
4-N-cyclopropyl-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144675
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
2-(2-fluorophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8810729
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 47707011
1-[(2-fluorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917779
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide
CID 8968845
4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]benzoic acid
CID 45423811

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide (CID 18105806) is N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide is O=C(CNC(=O)C1CCCCC1)NCc1ccccc1F.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is VZKNLRIEHZCTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-14-9-5-4-8-13(14)10-18-15(20)11-19-16(21)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 18105806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).