1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]urea

C24H29ClFN3O5 — CID 143249183

IUPAC1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]urea
SMILESC[C@@H](O)CNC(=O)Nc1cc(Cl)ccc1OCC(O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H29ClFN3O5/c1-15(30)13-27-24(33)28-20-12-18(25)4-7-21(20)34-14-22(31)29-10-8-17(9-11-29)23(32)16-2-5-19(26)6-3-16/h2-7,12,15,17,22,30-31H,8-11,13-14H2,1H3,(H2,27,28,33)/t15-,22?/m1/s1
InChIKeyFCUSUCAYMZFLDI-JGHKVMFLSA-N
MW493.96 g/mol
LogP3.27
Rot. Bonds9

About 1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]urea

1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]urea (PubChem CID 143249183) has the molecular formula C24H29ClFN3O5 and a molecular weight of 493.96 g/mol. Its IUPAC name is 1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]urea
PubChem CID143249183
Molecular FormulaC24H29ClFN3O5
Molecular Weight493.96 g/mol
Exact Mass493.18
IUPAC Name1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]urea
SMILESC[C@@H](O)CNC(=O)Nc1cc(Cl)ccc1OCC(O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H29ClFN3O5/c1-15(30)13-27-24(33)28-20-12-18(25)4-7-21(20)34-14-22(31)29-10-8-17(9-11-29)23(32)16-2-5-19(26)6-3-16/h2-7,12,15,17,22,30-31H,8-11,13-14H2,1H3,(H2,27,28,33)/t15-,22?/m1/s1
InChIKeyFCUSUCAYMZFLDI-JGHKVMFLSA-N
XLogP3.27
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.96
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]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-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 58678174
5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]-N-(1-methylpiperidin-4-yl)benzamide
CID 58678225
N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 51471617
N-(2,4-difluorophenyl)-4-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 24761982
1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 52591003
[1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 23503572
1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea
CID 143075390
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea
CID 108880979
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
2-(4-benzoylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 55504232
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 60575055
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]urea
CID 30606396

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]urea?
The IUPAC name of 1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]urea (CID 143249183) is 1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]urea?
The canonical SMILES for 1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]urea is C[C@@H](O)CNC(=O)Nc1cc(Cl)ccc1OCC(O)N1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]urea?
The InChIKey is FCUSUCAYMZFLDI-JGHKVMFLSA-N. The full InChI is InChI=1S/C24H29ClFN3O5/c1-15(30)13-27-24(33)28-20-12-18(25)4-7-21(20)34-14-22(31)29-10-8-17(9-11-29)23(32)16-2-5-19(26)6-3-16/h2-7,12,15,17,22,30-31H,8-11,13-14H2,1H3,(H2,27,28,33)/t15-,22?/m1/s1.
What are the key properties of 1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]urea?
1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]urea has a molecular weight of 493.96 g/mol, XLogP of 3.27, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxyethoxy]phenyl]-3-[(2R)-2-hydroxypropyl]urea is sourced from PubChem (CID 143249183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).