1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea

C14H13ClFN3O — CID 108867663

IUPAC1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea
SMILESNc1ccc(NC(=O)NCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C14H13ClFN3O/c15-12-7-11(5-6-13(12)17)19-14(20)18-8-9-1-3-10(16)4-2-9/h1-7H,8,17H2,(H2,18,19,20)
InChIKeyOKRXUYJIMNIDMR-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.38
Rot. Bonds3

About 1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea

1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea (PubChem CID 108867663) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea
PubChem CID108867663
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea
SMILESNc1ccc(NC(=O)NCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C14H13ClFN3O/c15-12-7-11(5-6-13(12)17)19-14(20)18-8-9-1-3-10(16)4-2-9/h1-7H,8,17H2,(H2,18,19,20)
InChIKeyOKRXUYJIMNIDMR-UHFFFAOYSA-N
XLogP3.38
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108899226
N'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 108516187
1-(4-amino-3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896754
1-(4-aminophenyl)-3-[(3-chloro-4-fluorophenyl)methyl]urea
CID 62532764
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
CID 156825130
2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide
CID 49285412
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988928
1-N'-(3-chloro-4-methylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975857
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
ethyl 4-[(4-fluorophenyl)methylcarbamoylamino]benzoate
CID 108867631
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 26022207

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea (CID 108867663) is 1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea is Nc1ccc(NC(=O)NCc2ccc(F)cc2)cc1Cl.
What is the InChIKey of 1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is OKRXUYJIMNIDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c15-12-7-11(5-6-13(12)17)19-14(20)18-8-9-1-3-10(16)4-2-9/h1-7H,8,17H2,(H2,18,19,20).
What are the key properties of 1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea?
1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 293.73 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 108867663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).