N-cyclopropyl-N-[4-(4-ethylphenyl)-4-(2-hydroxyethyl)cyclohexyl]-2-fluoro-4-methylbenzamide

C27H34FNO2 — CID 59804117

IUPACN-cyclopropyl-N-[4-(4-ethylphenyl)-4-(2-hydroxyethyl)cyclohexyl]-2-fluoro-4-methylbenzamide
SMILESCCc1ccc(C2(CCO)CCC(N(C(=O)c3ccc(C)cc3F)C3CC3)CC2)cc1
InChIInChI=1S/C27H34FNO2/c1-3-20-5-7-21(8-6-20)27(16-17-30)14-12-23(13-15-27)29(22-9-10-22)26(31)24-11-4-19(2)18-25(24)28/h4-8,11,18,22-23,30H,3,9-10,12-17H2,1-2H3
InChIKeyZMPWJUDRHPFKEE-UHFFFAOYSA-N
MW423.57 g/mol
LogP5.56
Rot. Bonds7

About N-cyclopropyl-N-[4-(4-ethylphenyl)-4-(2-hydroxyethyl)cyclohexyl]-2-fluoro-4-methylbenzamide

N-cyclopropyl-N-[4-(4-ethylphenyl)-4-(2-hydroxyethyl)cyclohexyl]-2-fluoro-4-methylbenzamide (PubChem CID 59804117) has the molecular formula C27H34FNO2 and a molecular weight of 423.57 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-(4-ethylphenyl)-4-(2-hydroxyethyl)cyclohexyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-(4-ethylphenyl)-4-(2-hydroxyethyl)cyclohexyl]-2-fluoro-4-methylbenzamide
PubChem CID59804117
Molecular FormulaC27H34FNO2
Molecular Weight423.57 g/mol
Exact Mass423.26
IUPAC NameN-cyclopropyl-N-[4-(4-ethylphenyl)-4-(2-hydroxyethyl)cyclohexyl]-2-fluoro-4-methylbenzamide
SMILESCCc1ccc(C2(CCO)CCC(N(C(=O)c3ccc(C)cc3F)C3CC3)CC2)cc1
InChIInChI=1S/C27H34FNO2/c1-3-20-5-7-21(8-6-20)27(16-17-30)14-12-23(13-15-27)29(22-9-10-22)26(31)24-11-4-19(2)18-25(24)28/h4-8,11,18,22-23,30H,3,9-10,12-17H2,1-2H3
InChIKeyZMPWJUDRHPFKEE-UHFFFAOYSA-N
XLogP5.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.57
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-(4-ethylphenyl)-4-(2-hydroxyethyl)cyclohexyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-N-[4-(4-ethylphenyl)-4-(2-hydroxyethyl)cyclohexyl]-2-fluoro-4-methylbenzamide (CID 59804117) is N-cyclopropyl-N-[4-(4-ethylphenyl)-4-(2-hydroxyethyl)cyclohexyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-[4-(4-ethylphenyl)-4-(2-hydroxyethyl)cyclohexyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-N-[4-(4-ethylphenyl)-4-(2-hydroxyethyl)cyclohexyl]-2-fluoro-4-methylbenzamide is CCc1ccc(C2(CCO)CCC(N(C(=O)c3ccc(C)cc3F)C3CC3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[4-(4-ethylphenyl)-4-(2-hydroxyethyl)cyclohexyl]-2-fluoro-4-methylbenzamide?
The InChIKey is ZMPWJUDRHPFKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FNO2/c1-3-20-5-7-21(8-6-20)27(16-17-30)14-12-23(13-15-27)29(22-9-10-22)26(31)24-11-4-19(2)18-25(24)28/h4-8,11,18,22-23,30H,3,9-10,12-17H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[4-(4-ethylphenyl)-4-(2-hydroxyethyl)cyclohexyl]-2-fluoro-4-methylbenzamide?
N-cyclopropyl-N-[4-(4-ethylphenyl)-4-(2-hydroxyethyl)cyclohexyl]-2-fluoro-4-methylbenzamide has a molecular weight of 423.57 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-(4-ethylphenyl)-4-(2-hydroxyethyl)cyclohexyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 59804117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).