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

C24H28FN3O4 — CID 146120284

IUPAC1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
SMILESCOc1ccc([C@H]2C[C@H](NC(=O)Nc3cccc(F)c3)C[C@@H]2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H28FN3O4/c1-31-20-7-5-16(6-8-20)21-14-19(15-22(21)23(29)28-9-11-32-12-10-28)27-24(30)26-18-4-2-3-17(25)13-18/h2-8,13,19,21-22H,9-12,14-15H2,1H3,(H2,26,27,30)/t19-,21+,22-/m0/s1
InChIKeySHXYPQNZXRJCQZ-NNWRFLSQSA-N
MW441.50 g/mol
LogP3.38
Rot. Bonds5

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

1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea (PubChem CID 146120284) has the molecular formula C24H28FN3O4 and a molecular weight of 441.50 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
PubChem CID146120284
Molecular FormulaC24H28FN3O4
Molecular Weight441.50 g/mol
Exact Mass441.21
IUPAC Name1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
SMILESCOc1ccc([C@H]2C[C@H](NC(=O)Nc3cccc(F)c3)C[C@@H]2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H28FN3O4/c1-31-20-7-5-16(6-8-20)21-14-19(15-22(21)23(29)28-9-11-32-12-10-28)27-24(30)26-18-4-2-3-17(25)13-18/h2-8,13,19,21-22H,9-12,14-15H2,1H3,(H2,26,27,30)/t19-,21+,22-/m0/s1
InChIKeySHXYPQNZXRJCQZ-NNWRFLSQSA-N
XLogP3.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea 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

1-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3-phenylurea
CID 146120286
1-(3,5-difluorophenyl)-3-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea
CID 146120411
3-fluoro-N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzenesulfonamide
CID 146120343
[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentyl]-morpholin-4-ylmethanone
CID 146120324
N-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 146120348
[4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42825231
1-N-(3-fluorophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143442
[(1S,2S,4S)-2-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methylamino]cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 146120250
N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]-3,5-dimethylbenzenesulfonamide
CID 146120369
1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea
CID 61029509
[(1S,2S,4S)-4-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 146120252
[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 98772739

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea (CID 146120284) is 1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea is COc1ccc([C@H]2C[C@H](NC(=O)Nc3cccc(F)c3)C[C@@H]2C(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea?
The InChIKey is SHXYPQNZXRJCQZ-NNWRFLSQSA-N. The full InChI is InChI=1S/C24H28FN3O4/c1-31-20-7-5-16(6-8-20)21-14-19(15-22(21)23(29)28-9-11-32-12-10-28)27-24(30)26-18-4-2-3-17(25)13-18/h2-8,13,19,21-22H,9-12,14-15H2,1H3,(H2,26,27,30)/t19-,21+,22-/m0/s1.
What are the key properties of 1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea?
1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea has a molecular weight of 441.50 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[(1S,3S,4S)-3-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)cyclopentyl]urea is sourced from PubChem (CID 146120284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).