1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea

C13H11ClFN3O — CID 16772839

IUPAC1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea
SMILESNc1cc(NC(=O)Nc2ccccc2F)ccc1Cl
InChIInChI=1S/C13H11ClFN3O/c14-9-6-5-8(7-11(9)16)17-13(19)18-12-4-2-1-3-10(12)15/h1-7H,16H2,(H2,17,18,19)
InChIKeyZRWDVDCOBCBVNT-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.71
Rot. Bonds2

About 1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea

1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea (PubChem CID 16772839) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea
PubChem CID16772839
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea
SMILESNc1cc(NC(=O)Nc2ccccc2F)ccc1Cl
InChIInChI=1S/C13H11ClFN3O/c14-9-6-5-8(7-11(9)16)17-13(19)18-12-4-2-1-3-10(12)15/h1-7H,16H2,(H2,17,18,19)
InChIKeyZRWDVDCOBCBVNT-UHFFFAOYSA-N
XLogP3.71
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.71
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-2-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16771122
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
CID 81454097
1-(4-chloro-3-methylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860179
N-(3-amino-4-chlorophenyl)-2-(2-fluorophenoxy)acetamide
CID 16793498
1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea
CID 121149602
1-(4-amino-3-chlorophenyl)-3-(2,5-dichlorophenyl)urea
CID 82861443
1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859814
1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 107698053
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea
CID 155412366
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108515782

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea (CID 16772839) is 1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea is Nc1cc(NC(=O)Nc2ccccc2F)ccc1Cl.
What is the InChIKey of 1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea?
The InChIKey is ZRWDVDCOBCBVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-9-6-5-8(7-11(9)16)17-13(19)18-12-4-2-1-3-10(12)15/h1-7H,16H2,(H2,17,18,19).
What are the key properties of 1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea?
1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea has a molecular weight of 279.70 g/mol, XLogP of 3.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 16772839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).