N-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

C27H26FN3O4 — CID 167937054

IUPACN-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(c1cc(NC(=O)C2CC=CCC2C(=O)N2CCOCC2)ccc1F)c1c[nH]c2ccccc12
InChIInChI=1S/C27H26FN3O4/c28-23-10-9-17(15-21(23)25(32)22-16-29-24-8-4-3-5-18(22)24)30-26(33)19-6-1-2-7-20(19)27(34)31-11-13-35-14-12-31/h1-5,8-10,15-16,19-20,29H,6-7,11-14H2,(H,30,33)
InChIKeyICFSYJAQIBUUOK-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.92
Rot. Bonds5

About N-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

N-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (PubChem CID 167937054) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is N-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
PubChem CID167937054
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC NameN-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(c1cc(NC(=O)C2CC=CCC2C(=O)N2CCOCC2)ccc1F)c1c[nH]c2ccccc12
InChIInChI=1S/C27H26FN3O4/c28-23-10-9-17(15-21(23)25(32)22-16-29-24-8-4-3-5-18(22)24)30-26(33)19-6-1-2-7-20(19)27(34)31-11-13-35-14-12-31/h1-5,8-10,15-16,19-20,29H,6-7,11-14H2,(H,30,33)
InChIKeyICFSYJAQIBUUOK-UHFFFAOYSA-N
XLogP3.92
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133552
(1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 124621745
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
(1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 1125531
(1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 129477988
N-[1-(2-fluorophenyl)propan-2-yl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 136534481
2-(morpholine-4-carbonyl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 109133413
(2,3-difluorophenyl)-(1H-indol-3-yl)methanone
CID 62648503
N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133659
5-(cyclopent-3-ene-1-carbonylamino)-2-fluorobenzoic acid
CID 64766907
(1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6970208
N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 40855341

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (CID 167937054) is N-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is O=C(c1cc(NC(=O)C2CC=CCC2C(=O)N2CCOCC2)ccc1F)c1c[nH]c2ccccc12.
What is the InChIKey of N-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is ICFSYJAQIBUUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4/c28-23-10-9-17(15-21(23)25(32)22-16-29-24-8-4-3-5-18(22)24)30-26(33)19-6-1-2-7-20(19)27(34)31-11-13-35-14-12-31/h1-5,8-10,15-16,19-20,29H,6-7,11-14H2,(H,30,33).
What are the key properties of N-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
N-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 167937054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).