1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea

C17H15F2N3O — CID 20757249

IUPAC1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H15F2N3O/c18-12-7-13(19)9-14(8-12)22-17(23)20-6-5-11-10-21-16-4-2-1-3-15(11)16/h1-4,7-10,21H,5-6H2,(H2,20,22,23)
InChIKeyKXMCDQQIXCDZRL-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.81
Rot. Bonds4

About 1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea

1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 20757249) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID20757249
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H15F2N3O/c18-12-7-13(19)9-14(8-12)22-17(23)20-6-5-11-10-21-16-4-2-1-3-15(11)16/h1-4,7-10,21H,5-6H2,(H2,20,22,23)
InChIKeyKXMCDQQIXCDZRL-UHFFFAOYSA-N
XLogP3.81
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871937
1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 155514959
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 166188124
methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
CID 51118943
1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea
CID 24650587
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 4584277
1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108885678
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate
CID 3294700
3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109021183

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea (CID 20757249) is 1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea is O=C(NCCc1c[nH]c2ccccc12)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is KXMCDQQIXCDZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c18-12-7-13(19)9-14(8-12)22-17(23)20-6-5-11-10-21-16-4-2-1-3-15(11)16/h1-4,7-10,21H,5-6H2,(H2,20,22,23).
What are the key properties of 1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 315.32 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 20757249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).