1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea

C19H22ClFN2O2 — CID 33402548

IUPAC1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
SMILESCN(Cc1ccc(Cl)cc1)C(=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C19H22ClFN2O2/c1-23(14-15-4-6-16(20)7-5-15)19(24)22-12-2-3-13-25-18-10-8-17(21)9-11-18/h4-11H,2-3,12-14H2,1H3,(H,22,24)
InChIKeyUDIYOKBLOCWYER-UHFFFAOYSA-N
MW364.85 g/mol
LogP4.48
Rot. Bonds8

About 1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea

1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea (PubChem CID 33402548) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
PubChem CID33402548
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
SMILESCN(Cc1ccc(Cl)cc1)C(=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C19H22ClFN2O2/c1-23(14-15-4-6-16(20)7-5-15)19(24)22-12-2-3-13-25-18-10-8-17(21)9-11-18/h4-11H,2-3,12-14H2,1H3,(H,22,24)
InChIKeyUDIYOKBLOCWYER-UHFFFAOYSA-N
XLogP4.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-chlorophenoxy)butyl]-1-methyl-1-[(4-methylphenyl)methyl]urea
CID 24612678
1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33403769
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 51274165
3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea
CID 46596303
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18083569
(2R)-2-[4-(4-chlorophenoxy)butanoyl-[(4-fluorophenyl)methyl]amino]-N-propylbutanamide
CID 100581522
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
1-benzyl-1-methyl-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972527
2-[[2-(4-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132659703
N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide
CID 17459278
1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 9266283
N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide
CID 56787694

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea (CID 33402548) is 1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea is CN(Cc1ccc(Cl)cc1)C(=O)NCCCCOc1ccc(F)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea?
The InChIKey is UDIYOKBLOCWYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O2/c1-23(14-15-4-6-16(20)7-5-15)19(24)22-12-2-3-13-25-18-10-8-17(21)9-11-18/h4-11H,2-3,12-14H2,1H3,(H,22,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea?
1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea has a molecular weight of 364.85 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea is sourced from PubChem (CID 33402548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).