N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide

C17H24FNO2 — CID 95292204

IUPACN-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
SMILESO=C(CCc1ccccc1F)NC[C@@H](O)C1CCCCC1
InChIInChI=1S/C17H24FNO2/c18-15-9-5-4-6-13(15)10-11-17(21)19-12-16(20)14-7-2-1-3-8-14/h4-6,9,14,16,20H,1-3,7-8,10-12H2,(H,19,21)/t16-/m1/s1
InChIKeyUZLZZVSXWWKSBW-MRXNPFEDSA-N
MW293.38 g/mol
LogP2.82
Rot. Bonds6

About N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide

N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide (PubChem CID 95292204) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
PubChem CID95292204
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC NameN-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
SMILESO=C(CCc1ccccc1F)NC[C@@H](O)C1CCCCC1
InChIInChI=1S/C17H24FNO2/c18-15-9-5-4-6-13(15)10-11-17(21)19-12-16(20)14-7-2-1-3-8-14/h4-6,9,14,16,20H,1-3,7-8,10-12H2,(H,19,21)/t16-/m1/s1
InChIKeyUZLZZVSXWWKSBW-MRXNPFEDSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-3-(2-fluorophenyl)propanamide
CID 95899940
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 90498777
N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
CID 111426079
3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
CID 110886726
N-(2-cyclopentyl-2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
CID 111425991
3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride
CID 119293866
N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide
CID 56764303
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide
CID 90498778
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 63299007
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 18152351
3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide
CID 94107192
2-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426322

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide (CID 95292204) is N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide is O=C(CCc1ccccc1F)NC[C@@H](O)C1CCCCC1.
What is the InChIKey of N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is UZLZZVSXWWKSBW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24FNO2/c18-15-9-5-4-6-13(15)10-11-17(21)19-12-16(20)14-7-2-1-3-8-14/h4-6,9,14,16,20H,1-3,7-8,10-12H2,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide?
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 293.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 95292204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).