azane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone

C24H28F2N2O — CID 68898628

IUPACazane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone
SMILESN.O=C(CC1CCCCC1)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1
InChIInChI=1S/C24H25F2NO.H3N/c25-20-11-12-22(26)21(15-20)19-14-23(18-9-5-2-6-10-18)27(16-19)24(28)13-17-7-3-1-4-8-17;/h2,5-6,9-12,14-15,17,23H,1,3-4,7-8,13,16H2;1H3
InChIKeyZHGFZUOQPOSOOB-UHFFFAOYSA-N
MW398.50 g/mol
LogP6.06
Rot. Bonds4

About azane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone

azane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone (PubChem CID 68898628) has the molecular formula C24H28F2N2O and a molecular weight of 398.50 g/mol. Its IUPAC name is azane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone.

Molecular Properties

Compound Nameazane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone
PubChem CID68898628
Molecular FormulaC24H28F2N2O
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Nameazane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone
SMILESN.O=C(CC1CCCCC1)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1
InChIInChI=1S/C24H25F2NO.H3N/c25-20-11-12-22(26)21(15-20)19-14-23(18-9-5-2-6-10-18)27(16-19)24(28)13-17-7-3-1-4-8-17;/h2,5-6,9-12,14-15,17,23H,1,3-4,7-8,13,16H2;1H3
InChIKeyZHGFZUOQPOSOOB-UHFFFAOYSA-N
XLogP6.06
TPSA55.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze azane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-cyclohexylpiperidin-3-yl)-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methanone
CID 142842945
(3S)-3-amino-4-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-4-oxobutanoic acid
CID 68899175
(2S)-4-(2,5-difluorophenyl)-N-(2-methylpropyl)-2-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 160837602
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide;1-methylpiperidine;hydrate
CID 143008201
(2R)-2-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-3-methylbutan-1-one
CID 24901495
2-[(1S)-1-cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-oxoethoxy]acetic acid
CID 68897900
(2S)-2-cyclopropyl-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-(ethylamino)ethanone
CID 142842975
[(2S)-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 68897748
[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-(3-methylimidazol-3-ium-1-yl)methanone
CID 59682327
(3S)-3-amino-4-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-1-hydroxybutan-2-one
CID 91593238
[(1S)-1-cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-oxoethyl]-(2-hydroxyethyl)carbamic acid
CID 68898522
1-[4-(2,5-difluorophenyl)-6-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 10403280

Frequently Asked Questions

What is the IUPAC name of azane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone?
The IUPAC name of azane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone (CID 68898628) is azane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone.
What is the SMILES notation for azane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone?
The canonical SMILES for azane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone is N.O=C(CC1CCCCC1)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1.
What is the InChIKey of azane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone?
The InChIKey is ZHGFZUOQPOSOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2NO.H3N/c25-20-11-12-22(26)21(15-20)19-14-23(18-9-5-2-6-10-18)27(16-19)24(28)13-17-7-3-1-4-8-17;/h2,5-6,9-12,14-15,17,23H,1,3-4,7-8,13,16H2;1H3.
What are the key properties of azane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone?
azane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone has a molecular weight of 398.50 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone is sourced from PubChem (CID 68898628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).