1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

C19H25Cl2N3O3 — CID 71886523

IUPAC1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESO=C(NCC(=O)N1CCCC1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1
InChIInChI=1S/C19H25Cl2N3O3/c20-14-3-4-15(16(21)11-14)19(5-9-27-10-6-19)13-23-18(26)22-12-17(25)24-7-1-2-8-24/h3-4,11H,1-2,5-10,12-13H2,(H2,22,23,26)
InChIKeySTZYYFWVKWQIGQ-UHFFFAOYSA-N
MW414.33 g/mol
LogP2.96
Rot. Bonds5

About 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (PubChem CID 71886523) has the molecular formula C19H25Cl2N3O3 and a molecular weight of 414.33 g/mol. Its IUPAC name is 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
PubChem CID71886523
Molecular FormulaC19H25Cl2N3O3
Molecular Weight414.33 g/mol
Exact Mass413.13
IUPAC Name1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESO=C(NCC(=O)N1CCCC1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1
InChIInChI=1S/C19H25Cl2N3O3/c20-14-3-4-15(16(21)11-14)19(5-9-27-10-6-19)13-23-18(26)22-12-17(25)24-7-1-2-8-24/h3-4,11H,1-2,5-10,12-13H2,(H2,22,23,26)
InChIKeySTZYYFWVKWQIGQ-UHFFFAOYSA-N
XLogP2.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)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-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea
CID 110904192
N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide
CID 86833800
methyl 1-[N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254642
2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120987373
N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3,5-dinitrobenzamide
CID 60573341
N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111081407
tert-butyl 2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 60575510
(2R,3S)-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
CID 120927859
2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70640697
4-acetyl-N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-N-ethylpiperazine-1-carboximidamide
CID 110962475
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide
CID 86895658
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
CID 28568208

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (CID 71886523) is 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is O=C(NCC(=O)N1CCCC1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1.
What is the InChIKey of 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is STZYYFWVKWQIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O3/c20-14-3-4-15(16(21)11-14)19(5-9-27-10-6-19)13-23-18(26)22-12-17(25)24-7-1-2-8-24/h3-4,11H,1-2,5-10,12-13H2,(H2,22,23,26).
What are the key properties of 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 414.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 71886523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).