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

C19H27FN2O2 — CID 113056716

IUPACN-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(F)cc1)C1CCCCCC1
InChIInChI=1S/C19H27FN2O2/c1-15(23)22(18-6-4-2-3-5-7-18)13-12-21-19(24)14-16-8-10-17(20)11-9-16/h8-11,18H,2-7,12-14H2,1H3,(H,21,24)
InChIKeyZJTPKHNKHRCRGD-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.06
Rot. Bonds6

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

N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113056716) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID113056716
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC NameN-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(F)cc1)C1CCCCCC1
InChIInChI=1S/C19H27FN2O2/c1-15(23)22(18-6-4-2-3-5-7-18)13-12-21-19(24)14-16-8-10-17(20)11-9-16/h8-11,18H,2-7,12-14H2,1H3,(H,21,24)
InChIKeyZJTPKHNKHRCRGD-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113056717
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052939
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056718
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113052961
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide
CID 113052971
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113065116
N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide
CID 78987135
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide
CID 108538634
N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide
CID 113052915
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107029703
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
N-cyclopentyl-N-ethyl-2-(4-fluorophenyl)acetamide
CID 86926966

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide (CID 113056716) is N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide is CC(=O)N(CCNC(=O)Cc1ccc(F)cc1)C1CCCCCC1.
What is the InChIKey of N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is ZJTPKHNKHRCRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-15(23)22(18-6-4-2-3-5-7-18)13-12-21-19(24)14-16-8-10-17(20)11-9-16/h8-11,18H,2-7,12-14H2,1H3,(H,21,24).
What are the key properties of N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 334.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113056716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).