1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea

C14H12F3N3O — CID 61315174

IUPAC1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESNc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)9-5-7-10(8-6-9)19-13(21)20-12-4-2-1-3-11(12)18/h1-8H,18H2,(H2,19,20,21)
InChIKeyFSTPOJVFAVXBOP-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.93
Rot. Bonds2

About 1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 61315174) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID61315174
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESNc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)9-5-7-10(8-6-9)19-13(21)20-12-4-2-1-3-11(12)18/h1-8H,18H2,(H2,19,20,21)
InChIKeyFSTPOJVFAVXBOP-UHFFFAOYSA-N
XLogP3.93
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.93
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-(2-ethynylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 135073242
2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzenesulfonic acid
CID 155294955
1-(2-cyanophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896183
N-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114868
1-(2-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 97161924
1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896212
N-(2-aminophenyl)benzenesulfonamide;1-[2-(benzenesulfonamido)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-isocyanato-4-(trifluoromethyl)benzene
CID 159696781
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
1-[4-(2-aminoethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154675698
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
1,3-bis[2-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea;bis(tetrabutylazanium);dichloride
CID 139168917

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 61315174) is 1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea is Nc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is FSTPOJVFAVXBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)9-5-7-10(8-6-9)19-13(21)20-12-4-2-1-3-11(12)18/h1-8H,18H2,(H2,19,20,21).
What are the key properties of 1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 295.26 g/mol, XLogP of 3.93, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 61315174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).