1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea

C11H14ClFN2O2 — CID 47032179

IUPAC1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFN2O2/c1-17-6-2-5-14-11(16)15-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3,(H2,14,15,16)
InChIKeyAIDWJNIIXBHZPP-UHFFFAOYSA-N
MW260.70 g/mol
LogP2.64
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea

1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea (PubChem CID 47032179) has the molecular formula C11H14ClFN2O2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea
PubChem CID47032179
Molecular FormulaC11H14ClFN2O2
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFN2O2/c1-17-6-2-5-14-11(16)15-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3,(H2,14,15,16)
InChIKeyAIDWJNIIXBHZPP-UHFFFAOYSA-N
XLogP2.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)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-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
CID 47193946
1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea
CID 118069861
1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 24588095
4,5-difluoro-2-(3-methoxypropylcarbamoylamino)benzoic acid
CID 62866805
1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47237738
1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 46457511
N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943345
2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867
methyl 4-[(4-chloro-2-fluorophenyl)carbamothioylamino]butanoate
CID 9053459
1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894556
3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
CID 110764723
N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999475

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea (CID 47032179) is 1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea is COCCCNC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea?
The InChIKey is AIDWJNIIXBHZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2/c1-17-6-2-5-14-11(16)15-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3,(H2,14,15,16).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea?
1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea has a molecular weight of 260.70 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea is sourced from PubChem (CID 47032179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).