1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea

C14H15F2N3O — CID 71854684

IUPAC1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ccc12)N(CC(F)F)C1CC1
InChIInChI=1S/C14H15F2N3O/c15-13(16)8-19(9-4-5-9)14(20)18-12-3-1-2-11-10(12)6-7-17-11/h1-3,6-7,9,13,17H,4-5,8H2,(H,18,20)
InChIKeyAQLUWSPMQGSCPG-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.43
Rot. Bonds4

About 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea

1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea (PubChem CID 71854684) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea
PubChem CID71854684
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ccc12)N(CC(F)F)C1CC1
InChIInChI=1S/C14H15F2N3O/c15-13(16)8-19(9-4-5-9)14(20)18-12-3-1-2-11-10(12)6-7-17-11/h1-3,6-7,9,13,17H,4-5,8H2,(H,18,20)
InChIKeyAQLUWSPMQGSCPG-UHFFFAOYSA-N
XLogP3.43
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea
CID 71858397
1-cyclohexyl-3-(1H-indol-4-yl)urea
CID 110748828
2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide
CID 110470939
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
N-(1H-indol-4-yl)-2-oxo-2-piperidin-1-ylacetamide
CID 45493554
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95767235
2-fluoro-N-(1H-indol-4-yl)benzamide
CID 110730909
3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119706205
N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide
CID 121452523
N'-[(2S)-1-cyanopropan-2-yl]-N-(1H-indol-4-yl)-N'-methyloxamide
CID 99632176

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea?
The IUPAC name of 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea (CID 71854684) is 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea.
What is the SMILES notation for 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea?
The canonical SMILES for 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea is O=C(Nc1cccc2[nH]ccc12)N(CC(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea?
The InChIKey is AQLUWSPMQGSCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-13(16)8-19(9-4-5-9)14(20)18-12-3-1-2-11-10(12)6-7-17-11/h1-3,6-7,9,13,17H,4-5,8H2,(H,18,20).
What are the key properties of 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea?
1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea has a molecular weight of 279.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea is sourced from PubChem (CID 71854684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).