1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea

C16H14FN3O2 — CID 51724842

IUPAC1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
SMILESN#Cc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1
InChIInChI=1S/C16H14FN3O2/c17-14-4-2-1-3-13(14)15(21)10-19-16(22)20-12-7-5-11(9-18)6-8-12/h1-8,15,21H,10H2,(H2,19,20,22)/t15-/m1/s1
InChIKeyAIVQCQDIMQVWDC-OAHLLOKOSA-N
MW299.31 g/mol
LogP2.55
Rot. Bonds4

About 1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea

1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 51724842) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID51724842
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
SMILESN#Cc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1
InChIInChI=1S/C16H14FN3O2/c17-14-4-2-1-3-13(14)15(21)10-19-16(22)20-12-7-5-11(9-18)6-8-12/h1-8,15,21H,10H2,(H2,19,20,22)/t15-/m1/s1
InChIKeyAIVQCQDIMQVWDC-OAHLLOKOSA-N
XLogP2.55
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51944583
1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94811823
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea
CID 42958119
1-(3-ethynylphenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 75877588
1-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-cyanophenyl)urea
CID 38282945
1-(3-cyanophenyl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450124
1-(1,3-benzodioxol-5-yl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 52580627
4-[[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
CID 93355701
N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
CID 110893729

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea (CID 51724842) is 1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea is N#Cc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is AIVQCQDIMQVWDC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-14-4-2-1-3-13(14)15(21)10-19-16(22)20-12-7-5-11(9-18)6-8-12/h1-8,15,21H,10H2,(H2,19,20,22)/t15-/m1/s1.
What are the key properties of 1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea?
1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 299.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 51724842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).