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

C15H14ClFN2O2 — CID 42960515

IUPAC1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
SMILESO=C(NCC(O)c1cccc(Cl)c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H14ClFN2O2/c16-11-3-1-2-10(8-11)14(20)9-18-15(21)19-13-6-4-12(17)5-7-13/h1-8,14,20H,9H2,(H2,18,19,21)
InChIKeyKSABTPSPWXHCRS-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.33
Rot. Bonds4

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

1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea (PubChem CID 42960515) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
PubChem CID42960515
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
SMILESO=C(NCC(O)c1cccc(Cl)c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H14ClFN2O2/c16-11-3-1-2-10(8-11)14(20)9-18-15(21)19-13-6-4-12(17)5-7-13/h1-8,14,20H,9H2,(H2,18,19,21)
InChIKeyKSABTPSPWXHCRS-UHFFFAOYSA-N
XLogP3.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51944513
1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 42960513
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea
CID 51944880
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-cyanophenyl)urea
CID 38282945
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea
CID 51944524
1-(3-chloro-4-cyanophenyl)-3-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51945011
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42959013
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,4-dichlorophenyl)urea
CID 51944288
1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 42959006
1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116754
1-(2,4-dichlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 75876358

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea (CID 42960515) is 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea is O=C(NCC(O)c1cccc(Cl)c1)Nc1ccc(F)cc1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea?
The InChIKey is KSABTPSPWXHCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-11-3-1-2-10(8-11)14(20)9-18-15(21)19-13-6-4-12(17)5-7-13/h1-8,14,20H,9H2,(H2,18,19,21).
What are the key properties of 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea?
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea has a molecular weight of 308.74 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 42960515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).