1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea

C22H21FN2O — CID 41304292

IUPAC1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1F)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21FN2O/c23-20-14-8-7-9-17(20)15-16-24-22(26)25-21(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,21H,15-16H2,(H2,24,25,26)
InChIKeyHSOIGOCDUDBXKZ-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.46
Rot. Bonds6

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

1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 41304292) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID41304292
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1F)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21FN2O/c23-20-14-8-7-9-17(20)15-16-24-22(26)25-21(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,21H,15-16H2,(H2,24,25,26)
InChIKeyHSOIGOCDUDBXKZ-UHFFFAOYSA-N
XLogP4.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512687
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895025
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420
2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 4222728
N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide
CID 42928317
3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62877979
N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide
CID 108945881
3-(benzhydrylcarbamoylamino)propanoic acid
CID 108867375
1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
CID 108867607
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea (CID 41304292) is 1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea is O=C(NCCc1ccccc1F)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is HSOIGOCDUDBXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c23-20-14-8-7-9-17(20)15-16-24-22(26)25-21(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,21H,15-16H2,(H2,24,25,26).
What are the key properties of 1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea?
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 348.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 41304292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).