1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea

C15H18FN3O2 — CID 111969990

IUPAC1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea
SMILESO=C(NCCn1cccc1)NCC(O)c1ccccc1F
InChIInChI=1S/C15H18FN3O2/c16-13-6-2-1-5-12(13)14(20)11-18-15(21)17-7-10-19-8-3-4-9-19/h1-6,8-9,14,20H,7,10-11H2,(H2,17,18,21)
InChIKeyNZAJCJOGJBDQHV-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.66
Rot. Bonds6

About 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea (PubChem CID 111969990) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea
PubChem CID111969990
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea
SMILESO=C(NCCn1cccc1)NCC(O)c1ccccc1F
InChIInChI=1S/C15H18FN3O2/c16-13-6-2-1-5-12(13)14(20)11-18-15(21)17-7-10-19-8-3-4-9-19/h1-6,8-9,14,20H,7,10-11H2,(H2,17,18,21)
InChIKeyNZAJCJOGJBDQHV-UHFFFAOYSA-N
XLogP1.66
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea
CID 111970018
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893413
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea
CID 47176500
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 51083657
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 94172086
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94811823
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea
CID 111110057
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119522
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea
CID 52991200

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea (CID 111969990) is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea is O=C(NCCn1cccc1)NCC(O)c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea?
The InChIKey is NZAJCJOGJBDQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-13-6-2-1-5-12(13)14(20)11-18-15(21)17-7-10-19-8-3-4-9-19/h1-6,8-9,14,20H,7,10-11H2,(H2,17,18,21).
What are the key properties of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea?
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea has a molecular weight of 291.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea is sourced from PubChem (CID 111969990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).