1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea

C14H8ClF5N2O — CID 90751133

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea
SMILESNC(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(F)c1F
InChIInChI=1S/C14H8ClF5N2O/c15-9-5-4-7(6-8(9)14(18,19)20)22(13(21)23)11-3-1-2-10(16)12(11)17/h1-6H,(H2,21,23)
InChIKeyRNTADSNEZXUPPG-UHFFFAOYSA-N
MW350.67 g/mol
LogP4.85
Rot. Bonds2

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea (PubChem CID 90751133) has the molecular formula C14H8ClF5N2O and a molecular weight of 350.67 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea
PubChem CID90751133
Molecular FormulaC14H8ClF5N2O
Molecular Weight350.67 g/mol
Exact Mass350.02
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea
SMILESNC(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(F)c1F
InChIInChI=1S/C14H8ClF5N2O/c15-9-5-4-7(6-8(9)14(18,19)20)22(13(21)23)11-3-1-2-10(16)12(11)17/h1-6H,(H2,21,23)
InChIKeyRNTADSNEZXUPPG-UHFFFAOYSA-N
XLogP4.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.67
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide
CID 70978045
[4-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenyl]-(3-methoxycarbonylphenyl)carbamic acid
CID 174441868
1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(N-methyl-3-pyrimidin-5-ylanilino)urea
CID 67162073
5-[4-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69306671
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
CID 110452028
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108515782
1-[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-fluorophenyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 66589350
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-phenylmethoxybenzamide
CID 142711619
4-[4-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide;naphthalene-1,5-disulfonic acid
CID 87327509
1-[4-(3-amino-1H-indazol-4-yl)-3-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea
CID 174506975
5-chloro-2-fluoro-4-(trifluoromethyl)benzamide
CID 168990948
(Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine
CID 146437813

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea (CID 90751133) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea is NC(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(F)c1F.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea?
The InChIKey is RNTADSNEZXUPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF5N2O/c15-9-5-4-7(6-8(9)14(18,19)20)22(13(21)23)11-3-1-2-10(16)12(11)17/h1-6H,(H2,21,23).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea has a molecular weight of 350.67 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea is sourced from PubChem (CID 90751133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).