1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea

C14H14FN3O — CID 43469069

IUPAC1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(N)cc2)c(F)c1
InChIInChI=1S/C14H14FN3O/c1-9-2-7-13(12(15)8-9)18-14(19)17-11-5-3-10(16)4-6-11/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeyYFBUWLWDPVCYNN-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.36
Rot. Bonds2

About 1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea

1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea (PubChem CID 43469069) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea
PubChem CID43469069
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(N)cc2)c(F)c1
InChIInChI=1S/C14H14FN3O/c1-9-2-7-13(12(15)8-9)18-14(19)17-11-5-3-10(16)4-6-11/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeyYFBUWLWDPVCYNN-UHFFFAOYSA-N
XLogP3.36
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea
CID 108897070
1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea
CID 43551396
1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 46859946
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898
1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894103
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781013
1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61346672
1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108991373
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991287

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea?
The IUPAC name of 1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea (CID 43469069) is 1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea?
The canonical SMILES for 1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(N)cc2)c(F)c1.
What is the InChIKey of 1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea?
The InChIKey is YFBUWLWDPVCYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-9-2-7-13(12(15)8-9)18-14(19)17-11-5-3-10(16)4-6-11/h2-8H,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea?
1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea has a molecular weight of 259.28 g/mol, XLogP of 3.36, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea is sourced from PubChem (CID 43469069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).