1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea

C19H22ClFN2O2 — CID 47489067

IUPAC1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea
SMILESCOCCCCN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C19H22ClFN2O2/c1-25-12-6-5-11-23(14-15-7-3-2-4-8-15)19(24)22-18-10-9-16(21)13-17(18)20/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,22,24)
InChIKeyDVRCAWGQOGLRKA-UHFFFAOYSA-N
MW364.85 g/mol
LogP4.94
Rot. Bonds8

About 1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea

1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea (PubChem CID 47489067) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea
PubChem CID47489067
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea
SMILESCOCCCCN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C19H22ClFN2O2/c1-25-12-6-5-11-23(14-15-7-3-2-4-8-15)19(24)22-18-10-9-16(21)13-17(18)20/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,22,24)
InChIKeyDVRCAWGQOGLRKA-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
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

1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea
CID 47072864
1-benzyl-1-(4-methoxybutyl)-3-(4-propan-2-ylphenyl)urea
CID 60582881
methyl 3-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoate
CID 42697996
1-benzyl-1-(4-methoxybutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47490280
N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3271245
1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea
CID 86987084
1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2,4-difluorophenyl)-1-(3-methoxypropyl)urea
CID 4041810
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059
1-benzyl-3-[8-(difluoromethoxy)quinolin-5-yl]-1-(4-methoxybutyl)urea
CID 60582989
N-benzyl-2-[(2,4-difluorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4059288
N-benzyl-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767512
1-benzyl-1-(4-methoxybutyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 60583091

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea?
The IUPAC name of 1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea (CID 47489067) is 1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea.
What is the SMILES notation for 1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea?
The canonical SMILES for 1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea is COCCCCN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of 1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea?
The InChIKey is DVRCAWGQOGLRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O2/c1-25-12-6-5-11-23(14-15-7-3-2-4-8-15)19(24)22-18-10-9-16(21)13-17(18)20/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,22,24).
What are the key properties of 1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea?
1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea has a molecular weight of 364.85 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-chloro-4-fluorophenyl)-1-(4-methoxybutyl)urea is sourced from PubChem (CID 47489067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).