N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide

C17H23FN2O2 — CID 108538634

IUPACN-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide
SMILESO=C(Cc1ccc(F)cc1)NCCNC(=O)C1CCCCC1
InChIInChI=1S/C17H23FN2O2/c18-15-8-6-13(7-9-15)12-16(21)19-10-11-20-17(22)14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,19,21)(H,20,22)
InChIKeyHBHWSDWITSQSKX-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.18
Rot. Bonds6

About N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide

N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide (PubChem CID 108538634) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide
PubChem CID108538634
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide
SMILESO=C(Cc1ccc(F)cc1)NCCNC(=O)C1CCCCC1
InChIInChI=1S/C17H23FN2O2/c18-15-8-6-13(7-9-15)12-16(21)19-10-11-20-17(22)14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,19,21)(H,20,22)
InChIKeyHBHWSDWITSQSKX-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide
CID 78987135
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113056716
2-(4-fluorophenyl)-N-(2-piperidin-2-ylethyl)acetamide
CID 24704522
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
CID 69253351
2-bromo-N-[3-[2-(cyclohexanecarbonylamino)ethylamino]-3-oxopropyl]-5-fluorobenzamide
CID 55805759
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
2-(4-fluorophenyl)-N-[2-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]ethyl]acetamide
CID 110916851
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
N-[2-(4-hydroxyphenyl)ethyl]cyclooctanecarboxamide
CID 65023099

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide (CID 108538634) is N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide is O=C(Cc1ccc(F)cc1)NCCNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide?
The InChIKey is HBHWSDWITSQSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-15-8-6-13(7-9-15)12-16(21)19-10-11-20-17(22)14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide?
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 108538634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).