1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea

C15H15FN2O — CID 27868374

IUPAC1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
SMILESC[C@@H](NC(=O)Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O/c1-11(12-7-9-13(16)10-8-12)17-15(19)18-14-5-3-2-4-6-14/h2-11H,1H3,(H2,17,18,19)/t11-/m1/s1
InChIKeyANJYMNNYBCWELY-LLVKDONJSA-N
MW258.30 g/mol
LogP3.71
Rot. Bonds3

About 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea (PubChem CID 27868374) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
PubChem CID27868374
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
SMILESC[C@@H](NC(=O)Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O/c1-11(12-7-9-13(16)10-8-12)17-15(19)18-14-5-3-2-4-6-14/h2-11H,1H3,(H2,17,18,19)/t11-/m1/s1
InChIKeyANJYMNNYBCWELY-LLVKDONJSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea
CID 26008081
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 61499885
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea
CID 92512959
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 47032089
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea
CID 43298096
1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
CID 52504623

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea (CID 27868374) is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea is C[C@@H](NC(=O)Nc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea?
The InChIKey is ANJYMNNYBCWELY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-11(12-7-9-13(16)10-8-12)17-15(19)18-14-5-3-2-4-6-14/h2-11H,1H3,(H2,17,18,19)/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea?
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea has a molecular weight of 258.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea is sourced from PubChem (CID 27868374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).