[4-[3-(trifluoromethyl)anilino]phenyl]urea

C14H12F3N3O — CID 90643997

IUPAC[4-[3-(trifluoromethyl)anilino]phenyl]urea
SMILESNC(=O)Nc1ccc(Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)9-2-1-3-12(8-9)19-10-4-6-11(7-5-10)20-13(18)21/h1-8,19H,(H3,18,20,21)
InChIKeyZNGUZFZJRPQWCW-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.94
Rot. Bonds3

About [4-[3-(trifluoromethyl)anilino]phenyl]urea

[4-[3-(trifluoromethyl)anilino]phenyl]urea (PubChem CID 90643997) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is [4-[3-(trifluoromethyl)anilino]phenyl]urea.

Molecular Properties

Compound Name[4-[3-(trifluoromethyl)anilino]phenyl]urea
PubChem CID90643997
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name[4-[3-(trifluoromethyl)anilino]phenyl]urea
SMILESNC(=O)Nc1ccc(Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)9-2-1-3-12(8-9)19-10-4-6-11(7-5-10)20-13(18)21/h1-8,19H,(H3,18,20,21)
InChIKeyZNGUZFZJRPQWCW-UHFFFAOYSA-N
XLogP3.94
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide
CID 112988067
3-amino-4-[3-(trifluoromethyl)anilino]benzamide
CID 43448394
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
[4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11623295
N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109128539
N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 46512922
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862

Frequently Asked Questions

What is the IUPAC name of [4-[3-(trifluoromethyl)anilino]phenyl]urea?
The IUPAC name of [4-[3-(trifluoromethyl)anilino]phenyl]urea (CID 90643997) is [4-[3-(trifluoromethyl)anilino]phenyl]urea.
What is the SMILES notation for [4-[3-(trifluoromethyl)anilino]phenyl]urea?
The canonical SMILES for [4-[3-(trifluoromethyl)anilino]phenyl]urea is NC(=O)Nc1ccc(Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of [4-[3-(trifluoromethyl)anilino]phenyl]urea?
The InChIKey is ZNGUZFZJRPQWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)9-2-1-3-12(8-9)19-10-4-6-11(7-5-10)20-13(18)21/h1-8,19H,(H3,18,20,21).
What are the key properties of [4-[3-(trifluoromethyl)anilino]phenyl]urea?
[4-[3-(trifluoromethyl)anilino]phenyl]urea has a molecular weight of 295.26 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(trifluoromethyl)anilino]phenyl]urea is sourced from PubChem (CID 90643997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).