1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea

C24H28ClN3O3 — CID 55983063

IUPAC1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea
SMILESO=C(NCc1ccccc1)NC1(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)CCCC1
InChIInChI=1S/C24H28ClN3O3/c25-20-10-8-19(9-11-20)21-17-28(14-15-31-21)22(29)24(12-4-5-13-24)27-23(30)26-16-18-6-2-1-3-7-18/h1-3,6-11,21H,4-5,12-17H2,(H2,26,27,30)
InChIKeyYMYXIOHAVMKYBO-UHFFFAOYSA-N
MW441.96 g/mol
LogP4.05
Rot. Bonds5

About 1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea

1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea (PubChem CID 55983063) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea
PubChem CID55983063
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea
SMILESO=C(NCc1ccccc1)NC1(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)CCCC1
InChIInChI=1S/C24H28ClN3O3/c25-20-10-8-19(9-11-20)21-17-28(14-15-31-21)22(29)24(12-4-5-13-24)27-23(30)26-16-18-6-2-1-3-7-18/h1-3,6-11,21H,4-5,12-17H2,(H2,26,27,30)
InChIKeyYMYXIOHAVMKYBO-UHFFFAOYSA-N
XLogP4.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea with MolForge

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Related Compounds

4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119239094
1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea
CID 119409296
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111430703
[2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110609508
2-anilino-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119725525
2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide
CID 87036056
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
[1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134567
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]cyclopentyl]-3-benzylurea
CID 46537305

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea?
The IUPAC name of 1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea (CID 55983063) is 1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea.
What is the SMILES notation for 1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea?
The canonical SMILES for 1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea is O=C(NCc1ccccc1)NC1(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)CCCC1.
What is the InChIKey of 1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea?
The InChIKey is YMYXIOHAVMKYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c25-20-10-8-19(9-11-20)21-17-28(14-15-31-21)22(29)24(12-4-5-13-24)27-23(30)26-16-18-6-2-1-3-7-18/h1-3,6-11,21H,4-5,12-17H2,(H2,26,27,30).
What are the key properties of 1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea?
1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea has a molecular weight of 441.96 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea is sourced from PubChem (CID 55983063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).