[[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea

C15H12F3N3O — CID 168532329

IUPAC[[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-20-21-14(19)22/h1-9H,(H3,19,21,22)
InChIKeyBSKNVKVOOPLPLD-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.37
Rot. Bonds3

About [[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea

[[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea (PubChem CID 168532329) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is [[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea
PubChem CID168532329
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name[[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-20-21-14(19)22/h1-9H,(H3,19,21,22)
InChIKeyBSKNVKVOOPLPLD-UHFFFAOYSA-N
XLogP3.37
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea
CID 131851267
(E)-2-methyl-3-[2-[3-(trifluoromethyl)phenyl]phenyl]prop-2-enoic acid
CID 170873485
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-(trifluoromethyl)phenyl]urea
CID 137303958
[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]urea
CID 168533054
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 135683233
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499205
6-oxo-4-phenyl-2-[2-[[2-[3-(trifluoromethyl)phenyl]phenyl]methylidene]hydrazinyl]-1H-pyrimidine-5-carbonitrile
CID 168570931
[(E)-(2,3-difluorophenyl)methylideneamino]urea
CID 10012988
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
CID 173180452
[[2-nitro-3-(trifluoromethyl)phenyl]methylideneamino]urea
CID 168533996

Frequently Asked Questions

What is the IUPAC name of [[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea?
The IUPAC name of [[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea (CID 168532329) is [[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea.
What is the SMILES notation for [[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea?
The canonical SMILES for [[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea is NC(=O)NN=Cc1ccccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of [[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea?
The InChIKey is BSKNVKVOOPLPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c16-15(17,18)12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-20-21-14(19)22/h1-9H,(H3,19,21,22).
What are the key properties of [[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea?
[[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea has a molecular weight of 307.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea is sourced from PubChem (CID 168532329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).