1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea

C20H21FN2O2 — CID 51934936

IUPAC1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
SMILESC[C@H](c1cc2ccccc2o1)N(C)C(=O)NCCc1ccccc1F
InChIInChI=1S/C20H21FN2O2/c1-14(19-13-16-8-4-6-10-18(16)25-19)23(2)20(24)22-12-11-15-7-3-5-9-17(15)21/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyLPUKOKUNBQIJKP-CQSZACIVSA-N
MW340.40 g/mol
LogP4.52
Rot. Bonds5

About 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea

1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea (PubChem CID 51934936) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
PubChem CID51934936
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
SMILESC[C@H](c1cc2ccccc2o1)N(C)C(=O)NCCc1ccccc1F
InChIInChI=1S/C20H21FN2O2/c1-14(19-13-16-8-4-6-10-18(16)25-19)23(2)20(24)22-12-11-15-7-3-5-9-17(15)21/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyLPUKOKUNBQIJKP-CQSZACIVSA-N
XLogP4.52
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 51324617
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea
CID 51934942
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 55930468
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 39976580
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-N,5-dimethylfuran-2-carboxamide
CID 46551065
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 115603918
3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea
CID 134040575
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide
CID 46550865
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea
CID 42951445
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(trifluoromethoxy)benzamide
CID 46550910

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea (CID 51934936) is 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea is C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCCc1ccccc1F.
What is the InChIKey of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea?
The InChIKey is LPUKOKUNBQIJKP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14(19-13-16-8-4-6-10-18(16)25-19)23(2)20(24)22-12-11-15-7-3-5-9-17(15)21/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea?
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea has a molecular weight of 340.40 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 51934936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).