1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide

C24H32ClFN2O3 — CID 19425222

IUPAC1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide
SMILESCCCN(CC)C(=O)C1=C(C(=O)Nc2cc(OC3CCCC3)c(Cl)cc2F)CCCC1
InChIInChI=1S/C24H32ClFN2O3/c1-3-13-28(4-2)24(30)18-12-8-7-11-17(18)23(29)27-21-15-22(19(25)14-20(21)26)31-16-9-5-6-10-16/h14-16H,3-13H2,1-2H3,(H,27,29)
InChIKeySHAGVWMCTKAZPC-UHFFFAOYSA-N
MW450.98 g/mol
LogP5.87
Rot. Bonds8

About 1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide

1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide (PubChem CID 19425222) has the molecular formula C24H32ClFN2O3 and a molecular weight of 450.98 g/mol. Its IUPAC name is 1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide
PubChem CID19425222
Molecular FormulaC24H32ClFN2O3
Molecular Weight450.98 g/mol
Exact Mass450.21
IUPAC Name1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide
SMILESCCCN(CC)C(=O)C1=C(C(=O)Nc2cc(OC3CCCC3)c(Cl)cc2F)CCCC1
InChIInChI=1S/C24H32ClFN2O3/c1-3-13-28(4-2)24(30)18-12-8-7-11-17(18)23(29)27-21-15-22(19(25)14-20(21)26)31-16-9-5-6-10-16/h14-16H,3-13H2,1-2H3,(H,27,29)
InChIKeySHAGVWMCTKAZPC-UHFFFAOYSA-N
XLogP5.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.98
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide with MolForge

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Related Compounds

1-N-benzyl-2-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)cyclohexene-1,2-dicarboxamide
CID 19425297
1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-[2-(4-chlorophenyl)butan-2-yl]cyclohexene-1,2-dicarboxamide
CID 19425216
ethyl 2-[(4-chloro-5-cyclopentyloxy-2-fluorophenyl)carbamoyloxy]-3-methylbut-3-enoate
CID 15078084
3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111475508
2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
CID 31870921
N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)piperidin-1-ium-2-carboxamide chloride
CID 110188384
3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431508
N-(4-chloro-3-pyridinyl)-5-cyclopentyloxy-2-fluoro-4-methoxybenzamide
CID 22145902
3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid
CID 119191501
2-N-(4-chloro-2-fluorophenyl)-1-N-[(2,4-dichlorophenyl)methyl]cyclohexene-1,2-dicarboxamide
CID 12959721
2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide
CID 31871992
N-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide
CID 13272911

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide (CID 19425222) is 1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide is CCCN(CC)C(=O)C1=C(C(=O)Nc2cc(OC3CCCC3)c(Cl)cc2F)CCCC1.
What is the InChIKey of 1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide?
The InChIKey is SHAGVWMCTKAZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClFN2O3/c1-3-13-28(4-2)24(30)18-12-8-7-11-17(18)23(29)27-21-15-22(19(25)14-20(21)26)31-16-9-5-6-10-16/h14-16H,3-13H2,1-2H3,(H,27,29).
What are the key properties of 1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide?
1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide has a molecular weight of 450.98 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-2-N-ethyl-2-N-propylcyclohexene-1,2-dicarboxamide is sourced from PubChem (CID 19425222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).