N-[2-[2-[(2,6-difluorophenyl)methoxy]-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide

C24H27F2NO2 — CID 570936

IUPACN-[2-[2-[(2,6-difluorophenyl)methoxy]-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide
SMILESCC1=CC(OCc2c(F)cccc2F)C(C(C)(C)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C24H27F2NO2/c1-16-12-13-19(24(2,3)27-23(28)17-8-5-4-6-9-17)22(14-16)29-15-18-20(25)10-7-11-21(18)26/h4-11,14,19,22H,12-13,15H2,1-3H3,(H,27,28)
InChIKeyVCZOALSBBZMAMY-UHFFFAOYSA-N
MW399.48 g/mol
LogP5.41
Rot. Bonds6

About N-[2-[2-[(2,6-difluorophenyl)methoxy]-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide

N-[2-[2-[(2,6-difluorophenyl)methoxy]-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide (PubChem CID 570936) has the molecular formula C24H27F2NO2 and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[2-[2-[(2,6-difluorophenyl)methoxy]-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[(2,6-difluorophenyl)methoxy]-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide
PubChem CID570936
Molecular FormulaC24H27F2NO2
Molecular Weight399.48 g/mol
Exact Mass399.20
IUPAC NameN-[2-[2-[(2,6-difluorophenyl)methoxy]-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide
SMILESCC1=CC(OCc2c(F)cccc2F)C(C(C)(C)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C24H27F2NO2/c1-16-12-13-19(24(2,3)27-23(28)17-8-5-4-6-9-17)22(14-16)29-15-18-20(25)10-7-11-21(18)26/h4-11,14,19,22H,12-13,15H2,1-3H3,(H,27,28)
InChIKeyVCZOALSBBZMAMY-UHFFFAOYSA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide
CID 2817603
N-[1-(4-isopropylphenyl)propyl]-4-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 4748624
N-(1-carbamoylcyclohexyl)-4-(propan-2-yloxymethyl)benzamide
CID 45897462
2,5-difluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 45900647
N-[1-(3,4-difluorophenyl)ethyl]-3-(methoxymethyl)benzamide
CID 46821055
Ethyl 4-(1-benzyloxycarbonylaminocyclopropyl)-2,3,5-trifluorobenzoylacetate
CID 10388243
N-[(S)-methoxy-[2-(4,4,4-trifluorobutyl)phenyl]methyl]benzamide
CID 101876210
[(1R,2R)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] benzoate
CID 132580068
N-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide
CID 134951267
N-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide
CID 134953084
4-[(1S,2S)-1,3-difluoro-2-phenylmethoxypropyl]benzamide
CID 134960329
N-{4-[4-(trifluoromethyl)phenyl]-3-oxabicyclo[4.2.0]octan-1-yl}benzamide
CID 139192055

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2,6-difluorophenyl)methoxy]-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide?
The IUPAC name of N-[2-[2-[(2,6-difluorophenyl)methoxy]-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide (CID 570936) is N-[2-[2-[(2,6-difluorophenyl)methoxy]-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide.
What is the SMILES notation for N-[2-[2-[(2,6-difluorophenyl)methoxy]-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide?
The canonical SMILES for N-[2-[2-[(2,6-difluorophenyl)methoxy]-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide is CC1=CC(OCc2c(F)cccc2F)C(C(C)(C)NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[2-[(2,6-difluorophenyl)methoxy]-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide?
The InChIKey is VCZOALSBBZMAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2NO2/c1-16-12-13-19(24(2,3)27-23(28)17-8-5-4-6-9-17)22(14-16)29-15-18-20(25)10-7-11-21(18)26/h4-11,14,19,22H,12-13,15H2,1-3H3,(H,27,28).
What are the key properties of N-[2-[2-[(2,6-difluorophenyl)methoxy]-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide?
N-[2-[2-[(2,6-difluorophenyl)methoxy]-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide has a molecular weight of 399.48 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2,6-difluorophenyl)methoxy]-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide is sourced from PubChem (CID 570936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).