1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea

C16H11ClF3N3O — CID 10237015

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2cc[nH]c12
InChIInChI=1S/C16H11ClF3N3O/c17-12-5-4-10(8-11(12)16(18,19)20)22-15(24)23-13-3-1-2-9-6-7-21-14(9)13/h1-8,21H,(H2,22,23,24)
InChIKeyGXTDSKILHSBKND-UHFFFAOYSA-N
MW353.73 g/mol
LogP5.48
Rot. Bonds2

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea (PubChem CID 10237015) has the molecular formula C16H11ClF3N3O and a molecular weight of 353.73 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea
PubChem CID10237015
Molecular FormulaC16H11ClF3N3O
Molecular Weight353.73 g/mol
Exact Mass353.05
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2cc[nH]c12
InChIInChI=1S/C16H11ClF3N3O/c17-12-5-4-10(8-11(12)16(18,19)20)22-15(24)23-13-3-1-2-9-6-7-21-14(9)13/h1-8,21H,(H2,22,23,24)
InChIKeyGXTDSKILHSBKND-UHFFFAOYSA-N
XLogP5.48
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.73
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea (CID 10237015) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2cc[nH]c12.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea?
The InChIKey is GXTDSKILHSBKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O/c17-12-5-4-10(8-11(12)16(18,19)20)22-15(24)23-13-3-1-2-9-6-7-21-14(9)13/h1-8,21H,(H2,22,23,24).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea has a molecular weight of 353.73 g/mol, XLogP of 5.48, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea is sourced from PubChem (CID 10237015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).