1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea

C15H12ClF3N2O2 — CID 3868161

IUPAC1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(NCc1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H12ClF3N2O2/c16-13-4-2-1-3-10(13)9-20-14(22)21-11-5-7-12(8-6-11)23-15(17,18)19/h1-8H,9H2,(H2,20,21,22)
InChIKeyMDYTXMNXLQIUDY-UHFFFAOYSA-N
MW344.72 g/mol
LogP4.56
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 3868161) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID3868161
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(NCc1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H12ClF3N2O2/c16-13-4-2-1-3-10(13)9-20-14(22)21-11-5-7-12(8-6-11)23-15(17,18)19/h1-8H,9H2,(H2,20,21,22)
InChIKeyMDYTXMNXLQIUDY-UHFFFAOYSA-N
XLogP4.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 3559637
1-[4-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 5000103
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate
CID 8633119
1-[(2,3-dimethoxyphenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55816924
[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
CID 108865473
N-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78781618
N-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955216
ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate
CID 47039627
N-[(2-chlorophenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 26692097
methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
CID 115565125
1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71208229

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 3868161) is 1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea is O=C(NCc1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is MDYTXMNXLQIUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c16-13-4-2-1-3-10(13)9-20-14(22)21-11-5-7-12(8-6-11)23-15(17,18)19/h1-8H,9H2,(H2,20,21,22).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 344.72 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 3868161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).