N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide

C17H23F3N2O — CID 119619762

IUPACN-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCNC1CCCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)15-10-6-5-9-14(15)16(23)22-12-11-21-13-7-3-1-2-4-8-13/h5-6,9-10,13,21H,1-4,7-8,11-12H2,(H,22,23)
InChIKeyHDAZSHMCBTVPDE-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.75
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide

N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 119619762) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID119619762
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCNC1CCCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)15-10-6-5-9-14(15)16(23)22-12-11-21-13-7-3-1-2-4-8-13/h5-6,9-10,13,21H,1-4,7-8,11-12H2,(H,22,23)
InChIKeyHDAZSHMCBTVPDE-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide 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-(cycloheptylamino)ethyl]-2-methoxybenzamide
CID 81487134
N-[2-(cycloheptylamino)ethyl]-2-nitrobenzamide;hydrochloride
CID 91645413
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937
N-[2-(cycloheptylamino)ethyl]-2-iodo-3-methylbenzamide
CID 103807397
3-bromo-N-[2-(cycloheptylamino)ethyl]-2-methylbenzamide
CID 81486868
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005582
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide
CID 81486156
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
CID 62663478
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108542423

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide (CID 119619762) is N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide is O=C(NCCNC1CCCCCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is HDAZSHMCBTVPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c18-17(19,20)15-10-6-5-9-14(15)16(23)22-12-11-21-13-7-3-1-2-4-8-13/h5-6,9-10,13,21H,1-4,7-8,11-12H2,(H,22,23).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide?
N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 328.38 g/mol, XLogP of 3.75, 5 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-(trifluoromethyl)benzamide is sourced from PubChem (CID 119619762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).