N'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

C18H25FN2O — CID 163372419

IUPACN'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(C(=O)CC2CCCC2)cc1C
InChIInChI=1S/C18H25FN2O/c1-4-21(3)12-20-17-11-16(19)15(9-13(17)2)18(22)10-14-7-5-6-8-14/h9,11-12,14H,4-8,10H2,1-3H3/b20-12+
InChIKeyHDAHVYMBYGMVKL-UDWIEESQSA-N
MW304.41 g/mol
LogP4.51
Rot. Bonds6

About N'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 163372419) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is N'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID163372419
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC NameN'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(C(=O)CC2CCCC2)cc1C
InChIInChI=1S/C18H25FN2O/c1-4-21(3)12-20-17-11-16(19)15(9-13(17)2)18(22)10-14-7-5-6-8-14/h9,11-12,14H,4-8,10H2,1-3H3/b20-12+
InChIKeyHDAHVYMBYGMVKL-UDWIEESQSA-N
XLogP4.51
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 163372419) is N'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(F)c(C(=O)CC2CCCC2)cc1C.
What is the InChIKey of N'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is HDAHVYMBYGMVKL-UDWIEESQSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-4-21(3)12-20-17-11-16(19)15(9-13(17)2)18(22)10-14-7-5-6-8-14/h9,11-12,14H,4-8,10H2,1-3H3/b20-12+.
What are the key properties of N'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 304.41 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 163372419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).