N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide

C18H24F2N2O3 — CID 29495039

IUPACN-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)NCCCOC1CCCCC1
InChIInChI=1S/C18H24F2N2O3/c19-13-7-8-15(16(20)11-13)18(24)22-12-17(23)21-9-4-10-25-14-5-2-1-3-6-14/h7-8,11,14H,1-6,9-10,12H2,(H,21,23)(H,22,24)
InChIKeyBQSQWVQWRRMPSI-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.55
Rot. Bonds8

About N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide

N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide (PubChem CID 29495039) has the molecular formula C18H24F2N2O3 and a molecular weight of 354.40 g/mol. Its IUPAC name is N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide
PubChem CID29495039
Molecular FormulaC18H24F2N2O3
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC NameN-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)NCCCOC1CCCCC1
InChIInChI=1S/C18H24F2N2O3/c19-13-7-8-15(16(20)11-13)18(24)22-12-17(23)21-9-4-10-25-14-5-2-1-3-6-14/h7-8,11,14H,1-6,9-10,12H2,(H,21,23)(H,22,24)
InChIKeyBQSQWVQWRRMPSI-UHFFFAOYSA-N
XLogP2.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide
CID 100564682
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 46536800
2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide
CID 103763503
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride
CID 119620646
N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
CID 31852388
N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 40659124
2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide
CID 46434276
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide (CID 29495039) is N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide is O=C(CNC(=O)c1ccc(F)cc1F)NCCCOC1CCCCC1.
What is the InChIKey of N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide?
The InChIKey is BQSQWVQWRRMPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O3/c19-13-7-8-15(16(20)11-13)18(24)22-12-17(23)21-9-4-10-25-14-5-2-1-3-6-14/h7-8,11,14H,1-6,9-10,12H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide?
N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide has a molecular weight of 354.40 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 29495039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).