N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide

C19H28F2N2O — CID 110445656

IUPACN-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide
SMILESCN(CCCCCNC(=O)c1ccc(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C19H28F2N2O/c1-23(16-8-4-2-5-9-16)13-7-3-6-12-22-19(24)15-10-11-17(20)18(21)14-15/h10-11,14,16H,2-9,12-13H2,1H3,(H,22,24)
InChIKeyMWNCJWONGWHMBC-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.13
Rot. Bonds8

About N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide

N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide (PubChem CID 110445656) has the molecular formula C19H28F2N2O and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide
PubChem CID110445656
Molecular FormulaC19H28F2N2O
Molecular Weight338.44 g/mol
Exact Mass338.22
IUPAC NameN-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide
SMILESCN(CCCCCNC(=O)c1ccc(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C19H28F2N2O/c1-23(16-8-4-2-5-9-16)13-7-3-6-12-22-19(24)15-10-11-17(20)18(21)14-15/h10-11,14,16H,2-9,12-13H2,1H3,(H,22,24)
InChIKeyMWNCJWONGWHMBC-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
CID 110444026
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065838
N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide
CID 110442853
3,4-difluoro-N-heptylbenzamide
CID 91717416
N-[3-[cyclohexyl(methyl)amino]propyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763751
N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 20939988
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119851139
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
CID 110443807
N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide
CID 103956034
N-[3-(cyclopropylamino)propyl]-3,4-difluorobenzamide
CID 43596480
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide
CID 63314478
N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide
CID 110443900

Frequently Asked Questions

What is the IUPAC name of N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide?
The IUPAC name of N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide (CID 110445656) is N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide is CN(CCCCCNC(=O)c1ccc(F)c(F)c1)C1CCCCC1.
What is the InChIKey of N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide?
The InChIKey is MWNCJWONGWHMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2O/c1-23(16-8-4-2-5-9-16)13-7-3-6-12-22-19(24)15-10-11-17(20)18(21)14-15/h10-11,14,16H,2-9,12-13H2,1H3,(H,22,24).
What are the key properties of N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide?
N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide has a molecular weight of 338.44 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide is sourced from PubChem (CID 110445656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).