1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea

C21H24FN3O2 — CID 50801399

IUPAC1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NCC(c1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H24FN3O2/c1-27-12-4-11-23-21(26)25-13-18(15-7-9-16(22)10-8-15)19-14-24-20-6-3-2-5-17(19)20/h2-3,5-10,14,18,24H,4,11-13H2,1H3,(H2,23,25,26)
InChIKeyVQADJQCZPWAFAL-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.77
Rot. Bonds8

About 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea

1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea (PubChem CID 50801399) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea
PubChem CID50801399
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NCC(c1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H24FN3O2/c1-27-12-4-11-23-21(26)25-13-18(15-7-9-16(22)10-8-15)19-14-24-20-6-3-2-5-17(19)20/h2-3,5-10,14,18,24H,4,11-13H2,1H3,(H2,23,25,26)
InChIKeyVQADJQCZPWAFAL-UHFFFAOYSA-N
XLogP3.77
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 50801431
3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803946
1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92892882
1-(2,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92875953
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560
2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43018386
1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 154834077
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43003893
2,4-difluoro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243582
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803966
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea (CID 50801399) is 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea is COCCCNC(=O)NCC(c1ccc(F)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea?
The InChIKey is VQADJQCZPWAFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-27-12-4-11-23-21(26)25-13-18(15-7-9-16(22)10-8-15)19-14-24-20-6-3-2-5-17(19)20/h2-3,5-10,14,18,24H,4,11-13H2,1H3,(H2,23,25,26).
What are the key properties of 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea?
1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea has a molecular weight of 369.44 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea is sourced from PubChem (CID 50801399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).