1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea

C20H23ClIN3O2 — CID 10278623

IUPAC1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NCC1CN(Cc2cccc(I)c2)CCO1
InChIInChI=1S/C20H23ClIN3O2/c21-17-6-4-15(5-7-17)11-23-20(26)24-12-19-14-25(8-9-27-19)13-16-2-1-3-18(22)10-16/h1-7,10,19H,8-9,11-14H2,(H2,23,24,26)
InChIKeyMZFOOLSSGQPJOZ-UHFFFAOYSA-N
MW499.78 g/mol
LogP3.64
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea

1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea (PubChem CID 10278623) has the molecular formula C20H23ClIN3O2 and a molecular weight of 499.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea
PubChem CID10278623
Molecular FormulaC20H23ClIN3O2
Molecular Weight499.78 g/mol
Exact Mass499.05
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NCC1CN(Cc2cccc(I)c2)CCO1
InChIInChI=1S/C20H23ClIN3O2/c21-17-6-4-15(5-7-17)11-23-20(26)24-12-19-14-25(8-9-27-19)13-16-2-1-3-18(22)10-16/h1-7,10,19H,8-9,11-14H2,(H2,23,24,26)
InChIKeyMZFOOLSSGQPJOZ-UHFFFAOYSA-N
XLogP3.64
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.78
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]benzoic acid
CID 10237967
5-[[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]-2-fluorobenzoic acid
CID 142811298
3-[[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]-N-ethylbenzamide
CID 10195075
1-[[4-(benzenesulfonamido)phenyl]methyl]-3-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]urea;dihydrate
CID 69068169
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124839884
1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-prop-2-enylurea
CID 10109024
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(hydrazinecarbonyl)furan-2-yl]methyl]urea;hydrochloride
CID 69059363
N-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide
CID 55997199
1-cyclohexyl-3-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]urea
CID 10272298
1-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2-propan-2-yltetrazol-5-yl)methyl]urea
CID 10433446
1-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]urea
CID 69058634

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea (CID 10278623) is 1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea is O=C(NCc1ccc(Cl)cc1)NCC1CN(Cc2cccc(I)c2)CCO1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea?
The InChIKey is MZFOOLSSGQPJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClIN3O2/c21-17-6-4-15(5-7-17)11-23-20(26)24-12-19-14-25(8-9-27-19)13-16-2-1-3-18(22)10-16/h1-7,10,19H,8-9,11-14H2,(H2,23,24,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea?
1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea has a molecular weight of 499.78 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea is sourced from PubChem (CID 10278623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).