1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea

C15H12FN3O — CID 155412366

IUPAC1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea
SMILESO=C(Nc1ccc2[nH]ccc2c1)Nc1ccccc1F
InChIInChI=1S/C15H12FN3O/c16-12-3-1-2-4-14(12)19-15(20)18-11-5-6-13-10(9-11)7-8-17-13/h1-9,17H,(H2,18,19,20)
InChIKeyVFADGASISMZDAM-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.95
Rot. Bonds2

About 1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea

1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea (PubChem CID 155412366) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea
PubChem CID155412366
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea
SMILESO=C(Nc1ccc2[nH]ccc2c1)Nc1ccccc1F
InChIInChI=1S/C15H12FN3O/c16-12-3-1-2-4-14(12)19-15(20)18-11-5-6-13-10(9-11)7-8-17-13/h1-9,17H,(H2,18,19,20)
InChIKeyVFADGASISMZDAM-UHFFFAOYSA-N
XLogP3.95
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea
CID 17181458
(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide
CID 61250453
1-[3-(1,1-difluoroethylsulfanyl)phenyl]-3-(1H-indol-5-yl)urea
CID 155742454
1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16772839
N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780
N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide
CID 110473206
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
CID 155432644
1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea
CID 155412355
2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide
CID 103732445
3-(1H-indol-5-ylamino)-2-methyl-3-oxopropanoic acid
CID 114898152
N-[1-(4-fluorophenyl)ethenyl]-1H-indol-5-amine
CID 142618850
1-(2-fluorophenyl)-3-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)phenyl]urea
CID 141145750

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea (CID 155412366) is 1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea is O=C(Nc1ccc2[nH]ccc2c1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea?
The InChIKey is VFADGASISMZDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-3-1-2-4-14(12)19-15(20)18-11-5-6-13-10(9-11)7-8-17-13/h1-9,17H,(H2,18,19,20).
What are the key properties of 1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea?
1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea has a molecular weight of 269.28 g/mol, XLogP of 3.95, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea is sourced from PubChem (CID 155412366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).