N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide

C15H20F2N2O2 — CID 63871300

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
SMILESNC1CCC(OCCNC(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H20F2N2O2/c16-13-6-1-10(9-14(13)17)15(20)19-7-8-21-12-4-2-11(18)3-5-12/h1,6,9,11-12H,2-5,7-8,18H2,(H,19,20)
InChIKeyYROJBVFOLPPUIR-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.98
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide

N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide (PubChem CID 63871300) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
PubChem CID63871300
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
SMILESNC1CCC(OCCNC(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H20F2N2O2/c16-13-6-1-10(9-14(13)17)15(20)19-7-8-21-12-4-2-11(18)3-5-12/h1,6,9,11-12H,2-5,7-8,18H2,(H,19,20)
InChIKeyYROJBVFOLPPUIR-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide 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-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
CID 63870470
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide
CID 107704978
N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
CID 107030113
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
CID 106753638
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide
CID 82871139
N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide
CID 81316459
3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 107956118
N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide
CID 63870800
4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide
CID 63834672
N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide
CID 63869966
N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide
CID 63871820
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide (CID 63871300) is N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide is NC1CCC(OCCNC(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide?
The InChIKey is YROJBVFOLPPUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-13-6-1-10(9-14(13)17)15(20)19-7-8-21-12-4-2-11(18)3-5-12/h1,6,9,11-12H,2-5,7-8,18H2,(H,19,20).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide has a molecular weight of 298.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 63871300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).