1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea

C15H14F2N2O2 — CID 51729222

IUPAC1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea
SMILESO=C(NC[C@@H](O)c1ccc(F)cc1F)Nc1ccccc1
InChIInChI=1S/C15H14F2N2O2/c16-10-6-7-12(13(17)8-10)14(20)9-18-15(21)19-11-4-2-1-3-5-11/h1-8,14,20H,9H2,(H2,18,19,21)/t14-/m1/s1
InChIKeyYLEPPGMIRDQWCI-CQSZACIVSA-N
MW292.29 g/mol
LogP2.82
Rot. Bonds4

About 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea

1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea (PubChem CID 51729222) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea
PubChem CID51729222
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea
SMILESO=C(NC[C@@H](O)c1ccc(F)cc1F)Nc1ccccc1
InChIInChI=1S/C15H14F2N2O2/c16-10-6-7-12(13(17)8-10)14(20)9-18-15(21)19-11-4-2-1-3-5-11/h1-8,14,20H,9H2,(H2,18,19,21)/t14-/m1/s1
InChIKeyYLEPPGMIRDQWCI-CQSZACIVSA-N
XLogP2.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42959013
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(3-ethylphenyl)urea
CID 51944769
1-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94811823
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554669
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 38524721
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51944583
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
CID 94024696
N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
CID 166196892
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42960515

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea?
The IUPAC name of 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea (CID 51729222) is 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea.
What is the SMILES notation for 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea?
The canonical SMILES for 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea is O=C(NC[C@@H](O)c1ccc(F)cc1F)Nc1ccccc1.
What is the InChIKey of 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea?
The InChIKey is YLEPPGMIRDQWCI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-10-6-7-12(13(17)8-10)14(20)9-18-15(21)19-11-4-2-1-3-5-11/h1-8,14,20H,9H2,(H2,18,19,21)/t14-/m1/s1.
What are the key properties of 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea?
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea has a molecular weight of 292.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea is sourced from PubChem (CID 51729222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).