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

C19H26FNO2 — CID 24966473

IUPACN-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(C2CCC(CCO)CC2)C2CC2)c(F)c1
InChIInChI=1S/C19H26FNO2/c1-13-2-9-17(18(20)12-13)19(23)21(16-7-8-16)15-5-3-14(4-6-15)10-11-22/h2,9,12,14-16,22H,3-8,10-11H2,1H3
InChIKeyMLINDLLOWXMEEK-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.68
Rot. Bonds5

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

N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylbenzamide (PubChem CID 24966473) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylbenzamide
PubChem CID24966473
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC NameN-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(C2CCC(CCO)CC2)C2CC2)c(F)c1
InChIInChI=1S/C19H26FNO2/c1-13-2-9-17(18(20)12-13)19(23)21(16-7-8-16)15-5-3-14(4-6-15)10-11-22/h2,9,12,14-16,22H,3-8,10-11H2,1H3
InChIKeyMLINDLLOWXMEEK-UHFFFAOYSA-N
XLogP3.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(1-Hydroxy-3-phenylpropan-2-yl)-1-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one
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(3-Fluoro-4-methylphenyl)[4-(2-methoxyethyl)piperidino]methanone
CID 53150861
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CID 70769674
3-Fluoro-N,4-dimethyl-N-[(oxan-4-YL)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylbenzamide (CID 24966473) is N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylbenzamide is Cc1ccc(C(=O)N(C2CCC(CCO)CC2)C2CC2)c(F)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylbenzamide?
The InChIKey is MLINDLLOWXMEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-13-2-9-17(18(20)12-13)19(23)21(16-7-8-16)15-5-3-14(4-6-15)10-11-22/h2,9,12,14-16,22H,3-8,10-11H2,1H3.
What are the key properties of N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylbenzamide?
N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylbenzamide has a molecular weight of 319.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylbenzamide is sourced from PubChem (CID 24966473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).