1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea

C18H19ClFN3O — CID 86830653

IUPAC1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea
SMILESO=C(Nc1cccc(Cl)c1F)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H19ClFN3O/c19-15-7-4-8-16(17(15)20)22-18(24)21-13-9-11-23(12-10-13)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,21,22,24)
InChIKeyQBGZMCWLOTVABO-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.27
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea

1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea (PubChem CID 86830653) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea
PubChem CID86830653
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea
SMILESO=C(Nc1cccc(Cl)c1F)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H19ClFN3O/c19-15-7-4-8-16(17(15)20)22-18(24)21-13-9-11-23(12-10-13)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,21,22,24)
InChIKeyQBGZMCWLOTVABO-UHFFFAOYSA-N
XLogP4.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine
CID 106820286
4-[(2,3-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61209411
1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea
CID 136562095
1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
CID 67002034
2-(2-fluorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735879
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
(E)-N-[5-[4-[(3-chloro-2-fluorophenyl)carbamoylamino]piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 44529152
1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea
CID 47456871
1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110922075
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea
CID 47198534

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea (CID 86830653) is 1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea is O=C(Nc1cccc(Cl)c1F)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea?
The InChIKey is QBGZMCWLOTVABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c19-15-7-4-8-16(17(15)20)22-18(24)21-13-9-11-23(12-10-13)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,21,22,24).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea?
1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea has a molecular weight of 347.82 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea is sourced from PubChem (CID 86830653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).