N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide

C17H25FN2O — CID 78987135

IUPACN-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCNC1CCCCCC1
InChIInChI=1S/C17H25FN2O/c18-15-9-7-14(8-10-15)13-17(21)20-12-11-19-16-5-3-1-2-4-6-16/h7-10,16,19H,1-6,11-13H2,(H,20,21)
InChIKeyIXYPMCJOTBBOGP-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.80
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide

N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 78987135) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID78987135
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCNC1CCCCCC1
InChIInChI=1S/C17H25FN2O/c18-15-9-7-14(8-10-15)13-17(21)20-12-11-19-16-5-3-1-2-4-6-16/h7-10,16,19H,1-6,11-13H2,(H,20,21)
InChIKeyIXYPMCJOTBBOGP-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.80
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-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide
CID 108538634
N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119261120
N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 119620648
N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119620018
N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119619460
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)acetamide
CID 55100633
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113056716
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride
CID 119620646
2-(4-fluorophenyl)-N-(2-piperidin-2-ylethyl)acetamide
CID 24704522
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
CID 69253351

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide (CID 78987135) is N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is IXYPMCJOTBBOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c18-15-9-7-14(8-10-15)13-17(21)20-12-11-19-16-5-3-1-2-4-6-16/h7-10,16,19H,1-6,11-13H2,(H,20,21).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 292.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 78987135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).