1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea

C22H21FN2O — CID 108900086

IUPAC1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea
SMILESO=C(NCCc1ccccc1F)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21FN2O/c23-21-14-8-7-11-19(21)15-16-24-22(26)25(20-12-5-2-6-13-20)17-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,24,26)
InChIKeyDCWADVJQBZKBIJ-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.78
Rot. Bonds6

About 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea

1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea (PubChem CID 108900086) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea.

Molecular Properties

Compound Name1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea
PubChem CID108900086
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea
SMILESO=C(NCCc1ccccc1F)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21FN2O/c23-21-14-8-7-11-19(21)15-16-24-22(26)25(20-12-5-2-6-13-20)17-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,24,26)
InChIKeyDCWADVJQBZKBIJ-UHFFFAOYSA-N
XLogP4.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea
CID 108902393
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
CID 86931400
2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
CID 63645252
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 115603918
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea
CID 108867698
(2-fluorophenyl)methyl-phenylcarbamic acid
CID 68974867
1-benzyl-3-[(2-chlorophenyl)methyl]-1-phenylurea
CID 108897704
1-benzyl-3-[(3-fluorophenyl)methyl]-1-phenylurea
CID 108898536
3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054514
3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024669
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea?
The IUPAC name of 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea (CID 108900086) is 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea.
What is the SMILES notation for 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea?
The canonical SMILES for 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea is O=C(NCCc1ccccc1F)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea?
The InChIKey is DCWADVJQBZKBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c23-21-14-8-7-11-19(21)15-16-24-22(26)25(20-12-5-2-6-13-20)17-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,24,26).
What are the key properties of 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea?
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea has a molecular weight of 348.42 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea is sourced from PubChem (CID 108900086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).