1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea

C21H20FN3O — CID 36512687

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
SMILESO=C(NCCc1ccccc1F)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C21H20FN3O/c22-18-11-5-4-8-16(18)13-15-24-21(26)25-20(17-9-2-1-3-10-17)19-12-6-7-14-23-19/h1-12,14,20H,13,15H2,(H2,24,25,26)/t20-/m0/s1
InChIKeyMBBBQNMKGVFGDP-FQEVSTJZSA-N
MW349.41 g/mol
LogP3.85
Rot. Bonds6

About 1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea

1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea (PubChem CID 36512687) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
PubChem CID36512687
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
SMILESO=C(NCCc1ccccc1F)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C21H20FN3O/c22-18-11-5-4-8-16(18)13-15-24-21(26)25-20(17-9-2-1-3-10-17)19-12-6-7-14-23-19/h1-12,14,20H,13,15H2,(H2,24,25,26)/t20-/m0/s1
InChIKeyMBBBQNMKGVFGDP-FQEVSTJZSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
CID 36524562
1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512185
1-[2-(3-fluorophenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
CID 36962476
1-butyl-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36961565
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 110924300
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895025
N-[(2-fluorophenyl)methyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 34159063
1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 46596546
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
4-[[(4-methylphenyl)-pyridin-2-ylmethyl]carbamoylamino]butanoic acid
CID 122012499
1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea
CID 48636675

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea (CID 36512687) is 1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea is O=C(NCCc1ccccc1F)N[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea?
The InChIKey is MBBBQNMKGVFGDP-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-18-11-5-4-8-16(18)13-15-24-21(26)25-20(17-9-2-1-3-10-17)19-12-6-7-14-23-19/h1-12,14,20H,13,15H2,(H2,24,25,26)/t20-/m0/s1.
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea?
1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea has a molecular weight of 349.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea is sourced from PubChem (CID 36512687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).