1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea

C15H14ClFN2O2 — CID 61348008

IUPAC1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCC(O)c1cccc(NC(=O)Nc2cccc(Cl)c2F)c1
InChIInChI=1S/C15H14ClFN2O2/c1-9(20)10-4-2-5-11(8-10)18-15(21)19-13-7-3-6-12(16)14(13)17/h2-9,20H,1H3,(H2,18,19,21)
InChIKeyDCAHSPIGXXJIDA-UHFFFAOYSA-N
MW308.74 g/mol
LogP4.18
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea

1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea (PubChem CID 61348008) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
PubChem CID61348008
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCC(O)c1cccc(NC(=O)Nc2cccc(Cl)c2F)c1
InChIInChI=1S/C15H14ClFN2O2/c1-9(20)10-4-2-5-11(8-10)18-15(21)19-13-7-3-6-12(16)14(13)17/h2-9,20H,1H3,(H2,18,19,21)
InChIKeyDCAHSPIGXXJIDA-UHFFFAOYSA-N
XLogP4.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 51046135
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61346672
1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61339972
1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea
CID 103481256
1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341059
N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507543
1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 61340020
1-(3-chlorophenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 60723574
2,5-dichloro-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 91676947
(2S)-2-[(3-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 61194258
4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803624

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea (CID 61348008) is 1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea is CC(O)c1cccc(NC(=O)Nc2cccc(Cl)c2F)c1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The InChIKey is DCAHSPIGXXJIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-9(20)10-4-2-5-11(8-10)18-15(21)19-13-7-3-6-12(16)14(13)17/h2-9,20H,1H3,(H2,18,19,21).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea has a molecular weight of 308.74 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 61348008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).