N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

C21H27FN2O3 — CID 136534481

IUPACN-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCC(Cc1ccccc1F)NC(=O)C1CC=CCC1C(=O)N1CCOCC1
InChIInChI=1S/C21H27FN2O3/c1-15(14-16-6-2-5-9-19(16)22)23-20(25)17-7-3-4-8-18(17)21(26)24-10-12-27-13-11-24/h2-6,9,15,17-18H,7-8,10-14H2,1H3,(H,23,25)
InChIKeyDRTUKSGKNKEZIC-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.31
Rot. Bonds5

About N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (PubChem CID 136534481) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
PubChem CID136534481
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCC(Cc1ccccc1F)NC(=O)C1CC=CCC1C(=O)N1CCOCC1
InChIInChI=1S/C21H27FN2O3/c1-15(14-16-6-2-5-9-19(16)22)23-20(25)17-7-3-4-8-18(17)21(26)24-10-12-27-13-11-24/h2-6,9,15,17-18H,7-8,10-14H2,1H3,(H,23,25)
InChIKeyDRTUKSGKNKEZIC-UHFFFAOYSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide
CID 124831984
N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133522
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
4-(aminomethyl)-N-[1-(2-fluorophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120924178
2-(morpholine-4-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 109133281
(1S,6R)-6-(1-phenylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962407
N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133552
1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 95284220
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 97224410
3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119722765
(1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 129477988
3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid
CID 82088132

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (CID 136534481) is N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is CC(Cc1ccccc1F)NC(=O)C1CC=CCC1C(=O)N1CCOCC1.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is DRTUKSGKNKEZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-15(14-16-6-2-5-9-19(16)22)23-20(25)17-7-3-4-8-18(17)21(26)24-10-12-27-13-11-24/h2-6,9,15,17-18H,7-8,10-14H2,1H3,(H,23,25).
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 136534481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).