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

C19H27FN2O2 — CID 119620648

IUPACN-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCCNC1CCCCCC1
InChIInChI=1S/C19H27FN2O2/c20-16-9-7-15(8-10-16)18(23)11-12-19(24)22-14-13-21-17-5-3-1-2-4-6-17/h7-10,17,21H,1-6,11-14H2,(H,22,24)
InChIKeyGHKZAMRNKPWQFD-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.22
Rot. Bonds8

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

N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 119620648) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID119620648
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC NameN-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCCNC1CCCCCC1
InChIInChI=1S/C19H27FN2O2/c20-16-9-7-15(8-10-16)18(23)11-12-19(24)22-14-13-21-17-5-3-1-2-4-6-17/h7-10,17,21H,1-6,11-14H2,(H,22,24)
InChIKeyGHKZAMRNKPWQFD-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide
CID 110306646
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide
CID 26721985
N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119261120
N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
CID 119619656
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 108807070
4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
CID 119620022
N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 119619857
N-[2-(cycloheptylamino)ethyl]-4,4,4-trifluorobutanamide;hydrochloride
CID 119621375
4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide (CID 119620648) is N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is GHKZAMRNKPWQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c20-16-9-7-15(8-10-16)18(23)11-12-19(24)22-14-13-21-17-5-3-1-2-4-6-17/h7-10,17,21H,1-6,11-14H2,(H,22,24).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 334.43 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 119620648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).