1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea

C23H24F3N3O3 — CID 146120411

IUPAC1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
SMILESO=C(Nc1cc(F)cc(F)c1)N[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C23H24F3N3O3/c24-15-3-1-14(2-4-15)20-12-19(13-21(20)22(30)29-5-7-32-8-6-29)28-23(31)27-18-10-16(25)9-17(26)11-18/h1-4,9-11,19-21H,5-8,12-13H2,(H2,27,28,31)/t19-,20+,21-/m0/s1
InChIKeyQORKMUNGIXPNPW-HBMCJLEFSA-N
MW447.46 g/mol
LogP3.65
Rot. Bonds4

About 1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea

1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea (PubChem CID 146120411) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
PubChem CID146120411
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC Name1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
SMILESO=C(Nc1cc(F)cc(F)c1)N[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C23H24F3N3O3/c24-15-3-1-14(2-4-15)20-12-19(13-21(20)22(30)29-5-7-32-8-6-29)28-23(31)27-18-10-16(25)9-17(26)11-18/h1-4,9-11,19-21H,5-8,12-13H2,(H2,27,28,31)/t19-,20+,21-/m0/s1
InChIKeyQORKMUNGIXPNPW-HBMCJLEFSA-N
XLogP3.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea with MolForge

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Related Compounds

3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide
CID 146120417
1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
CID 146120284
1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea
CID 146120286
N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide
CID 146120369
N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
CID 146120385
N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
CID 146120407
2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182618
3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide
CID 146120343
[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559905
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 94525636
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 94532811
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 119516884

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea (CID 146120411) is 1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea is O=C(Nc1cc(F)cc(F)c1)N[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea?
The InChIKey is QORKMUNGIXPNPW-HBMCJLEFSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c24-15-3-1-14(2-4-15)20-12-19(13-21(20)22(30)29-5-7-32-8-6-29)28-23(31)27-18-10-16(25)9-17(26)11-18/h1-4,9-11,19-21H,5-8,12-13H2,(H2,27,28,31)/t19-,20+,21-/m0/s1.
What are the key properties of 1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea?
1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea has a molecular weight of 447.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea is sourced from PubChem (CID 146120411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).