1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea

C17H18ClFN2O2 — CID 111452677

IUPAC1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESO=C(Nc1ccc(Cl)cc1F)NC(CCCO)c1ccccc1
InChIInChI=1S/C17H18ClFN2O2/c18-13-8-9-16(14(19)11-13)21-17(23)20-15(7-4-10-22)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15,22H,4,7,10H2,(H2,20,21,23)
InChIKeyJFGHSKFFRZVRTD-UHFFFAOYSA-N
MW336.79 g/mol
LogP4.11
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea

1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea (PubChem CID 111452677) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
PubChem CID111452677
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESO=C(Nc1ccc(Cl)cc1F)NC(CCCO)c1ccccc1
InChIInChI=1S/C17H18ClFN2O2/c18-13-8-9-16(14(19)11-13)21-17(23)20-15(7-4-10-22)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15,22H,4,7,10H2,(H2,20,21,23)
InChIKeyJFGHSKFFRZVRTD-UHFFFAOYSA-N
XLogP4.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450259
1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452600
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450262
N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide
CID 111799086
(2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide
CID 896234
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111453817
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
CID 111486785
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548
(2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 107830691

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea (CID 111452677) is 1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea is O=C(Nc1ccc(Cl)cc1F)NC(CCCO)c1ccccc1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The InChIKey is JFGHSKFFRZVRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c18-13-8-9-16(14(19)11-13)21-17(23)20-15(7-4-10-22)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15,22H,4,7,10H2,(H2,20,21,23).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea has a molecular weight of 336.79 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea is sourced from PubChem (CID 111452677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).