1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea

C20H25FN2O2 — CID 108878931

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCC(NC(=O)NCCc1cccc(F)c1)Oc1ccccc1C(C)C
InChIInChI=1S/C20H25FN2O2/c1-14(2)18-9-4-5-10-19(18)25-15(3)23-20(24)22-12-11-16-7-6-8-17(21)13-16/h4-10,13-15H,11-12H2,1-3H3,(H2,22,23,24)
InChIKeyRHVXPBZQZZTFPB-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.22
Rot. Bonds7

About 1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea

1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea (PubChem CID 108878931) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
PubChem CID108878931
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCC(NC(=O)NCCc1cccc(F)c1)Oc1ccccc1C(C)C
InChIInChI=1S/C20H25FN2O2/c1-14(2)18-9-4-5-10-19(18)25-15(3)23-20(24)22-12-11-16-7-6-8-17(21)13-16/h4-10,13-15H,11-12H2,1-3H3,(H2,22,23,24)
InChIKeyRHVXPBZQZZTFPB-UHFFFAOYSA-N
XLogP4.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenylbutyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878945
1-[(4-fluorophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878836
1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
CID 108901143
1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892882
1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea
CID 108878787
1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878923
1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36962482
1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea
CID 47024783
(2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate
CID 57330094
1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 108901254
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea (CID 108878931) is 1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea is CC(NC(=O)NCCc1cccc(F)c1)Oc1ccccc1C(C)C.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is RHVXPBZQZZTFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14(2)18-9-4-5-10-19(18)25-15(3)23-20(24)22-12-11-16-7-6-8-17(21)13-16/h4-10,13-15H,11-12H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea?
1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 344.43 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 108878931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).