4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide

C15H20F2N2O2 — CID 63834672

IUPAC4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide
SMILESNc1c(F)cc(C(=O)NCCOC2CCCCC2)cc1F
InChIInChI=1S/C15H20F2N2O2/c16-12-8-10(9-13(17)14(12)18)15(20)19-6-7-21-11-4-2-1-3-5-11/h8-9,11H,1-7,18H2,(H,19,20)
InChIKeyMHHMANZMUGKCPA-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.63
Rot. Bonds5

About 4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide

4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide (PubChem CID 63834672) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide
PubChem CID63834672
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide
SMILESNc1c(F)cc(C(=O)NCCOC2CCCCC2)cc1F
InChIInChI=1S/C15H20F2N2O2/c16-12-8-10(9-13(17)14(12)18)15(20)19-6-7-21-11-4-2-1-3-5-11/h8-9,11H,1-7,18H2,(H,19,20)
InChIKeyMHHMANZMUGKCPA-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide
CID 82833373
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539
N-(2-cyclopentyloxyethyl)-3,5-dihydroxybenzamide
CID 104938884
3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide
CID 103908078
N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
CID 107030113
5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296492
N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
CID 63871300
2-amino-N-(2-cyclopentyloxyethyl)pyridine-4-carboxamide
CID 63834137
N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
CID 107030134
5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296491
N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide
CID 63833449
4-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 61149535

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide?
The IUPAC name of 4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide (CID 63834672) is 4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide.
What is the SMILES notation for 4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide?
The canonical SMILES for 4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide is Nc1c(F)cc(C(=O)NCCOC2CCCCC2)cc1F.
What is the InChIKey of 4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide?
The InChIKey is MHHMANZMUGKCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-12-8-10(9-13(17)14(12)18)15(20)19-6-7-21-11-4-2-1-3-5-11/h8-9,11H,1-7,18H2,(H,19,20).
What are the key properties of 4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide?
4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide has a molecular weight of 298.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide is sourced from PubChem (CID 63834672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).