1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea

C17H14F3N3O2 — CID 10066394

IUPAC1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)Nc1cccc2[nH]ccc12
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)25-12-6-4-11(5-7-12)10-22-16(24)23-15-3-1-2-14-13(15)8-9-21-14/h1-9,21H,10H2,(H2,22,23,24)
InChIKeyVOQCVEBKIKIUCO-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.39
Rot. Bonds4

About 1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea

1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 10066394) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID10066394
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)Nc1cccc2[nH]ccc12
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)25-12-6-4-11(5-7-12)10-22-16(24)23-15-3-1-2-14-13(15)8-9-21-14/h1-9,21H,10H2,(H2,22,23,24)
InChIKeyVOQCVEBKIKIUCO-UHFFFAOYSA-N
XLogP4.39
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide
CID 39309484
2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide
CID 110470939
1-(1H-indol-4-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 69449317
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 68637610
1-(1H-indol-4-yl)-3-pentylurea
CID 51132800
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3859950
1-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119276278
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009
N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
CID 53160301

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea (CID 10066394) is 1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea is O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1cccc2[nH]ccc12.
What is the InChIKey of 1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is VOQCVEBKIKIUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-17(19,20)25-12-6-4-11(5-7-12)10-22-16(24)23-15-3-1-2-14-13(15)8-9-21-14/h1-9,21H,10H2,(H2,22,23,24).
What are the key properties of 1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 349.31 g/mol, XLogP of 4.39, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 10066394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).