1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea

C15H13Cl2F2N3O2 — CID 86807501

IUPAC1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
SMILESNc1c(Cl)cc(NC(=O)NCCOc2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C15H13Cl2F2N3O2/c16-10-5-8(6-11(17)14(10)20)22-15(23)21-3-4-24-9-1-2-12(18)13(19)7-9/h1-2,5-7H,3-4,20H2,(H2,21,22,23)
InChIKeyDNXXNBURNSABJY-UHFFFAOYSA-N
MW376.19 g/mol
LogP4.05
Rot. Bonds5

About 1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea

1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea (PubChem CID 86807501) has the molecular formula C15H13Cl2F2N3O2 and a molecular weight of 376.19 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
PubChem CID86807501
Molecular FormulaC15H13Cl2F2N3O2
Molecular Weight376.19 g/mol
Exact Mass375.04
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
SMILESNc1c(Cl)cc(NC(=O)NCCOc2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C15H13Cl2F2N3O2/c16-10-5-8(6-11(17)14(10)20)22-15(23)21-3-4-24-9-1-2-12(18)13(19)7-9/h1-2,5-7H,3-4,20H2,(H2,21,22,23)
InChIKeyDNXXNBURNSABJY-UHFFFAOYSA-N
XLogP4.05
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]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-(3-chloro-4-fluorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976389
1-(2,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976444
1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
CID 112971005
1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976443
1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 112976375
1-[2-(3,4-difluorophenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112976455
1-[2-(3,4-difluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112976406
1-(3-chloro-4-fluorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971573
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
4-amino-N-[2-(3,4-difluorophenoxy)ethyl]butanamide;hydrochloride
CID 119320552

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea?
The IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea (CID 86807501) is 1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea.
What is the SMILES notation for 1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea?
The canonical SMILES for 1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea is Nc1c(Cl)cc(NC(=O)NCCOc2ccc(F)c(F)c2)cc1Cl.
What is the InChIKey of 1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea?
The InChIKey is DNXXNBURNSABJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2N3O2/c16-10-5-8(6-11(17)14(10)20)22-15(23)21-3-4-24-9-1-2-12(18)13(19)7-9/h1-2,5-7H,3-4,20H2,(H2,21,22,23).
What are the key properties of 1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea?
1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea has a molecular weight of 376.19 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea is sourced from PubChem (CID 86807501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).