1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea

C19H16F3N3O — CID 156574323

IUPAC1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea
SMILESO=C(Nc1ccc(C2CC(F)(F)C2)c(F)c1)Nc1c[nH]c2ccccc12
InChIInChI=1S/C19H16F3N3O/c20-15-7-12(5-6-13(15)11-8-19(21,22)9-11)24-18(26)25-17-10-23-16-4-2-1-3-14(16)17/h1-7,10-11,23H,8-9H2,(H2,24,25,26)
InChIKeyAHBOFPTUCQJOPD-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.46
Rot. Bonds3

About 1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea

1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea (PubChem CID 156574323) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea
PubChem CID156574323
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea
SMILESO=C(Nc1ccc(C2CC(F)(F)C2)c(F)c1)Nc1c[nH]c2ccccc12
InChIInChI=1S/C19H16F3N3O/c20-15-7-12(5-6-13(15)11-8-19(21,22)9-11)24-18(26)25-17-10-23-16-4-2-1-3-14(16)17/h1-7,10-11,23H,8-9H2,(H2,24,25,26)
InChIKeyAHBOFPTUCQJOPD-UHFFFAOYSA-N
XLogP5.46
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea
CID 7616069
1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea
CID 7616079
1-[6-(3,3-difluorocyclobutyl)-3-pyridinyl]-3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)urea
CID 156576822
1H-indol-3-ylcarbamic acid
CID 66672709
1-(1-benzyl-3,4-dimethyl-2-oxo-4H-quinazolin-7-yl)-3-(1H-indol-3-yl)urea
CID 175586403
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
1-(5-chloro-1H-indol-3-yl)-3-[6-(4,4-difluorocyclohexyl)-3-pyridinyl]urea
CID 156574308
1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616071
1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea
CID 121264494
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
CID 7615942
1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea
CID 18582270

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea?
The IUPAC name of 1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea (CID 156574323) is 1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea.
What is the SMILES notation for 1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea?
The canonical SMILES for 1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea is O=C(Nc1ccc(C2CC(F)(F)C2)c(F)c1)Nc1c[nH]c2ccccc12.
What is the InChIKey of 1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea?
The InChIKey is AHBOFPTUCQJOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c20-15-7-12(5-6-13(15)11-8-19(21,22)9-11)24-18(26)25-17-10-23-16-4-2-1-3-14(16)17/h1-7,10-11,23H,8-9H2,(H2,24,25,26).
What are the key properties of 1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea?
1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea has a molecular weight of 359.35 g/mol, XLogP of 5.46, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea is sourced from PubChem (CID 156574323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).