1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea

C18H18FN3O2 — CID 6467171

IUPAC1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)Nc1cccc(F)c1
InChIInChI=1S/C18H18FN3O2/c19-14-4-3-5-16(12-14)21-18(24)20-15-8-6-13(7-9-15)17(23)22-10-1-2-11-22/h3-9,12H,1-2,10-11H2,(H2,20,21,24)
InChIKeyGKDOPWHNEARIIL-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.71
Rot. Bonds3

About 1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea

1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 6467171) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID6467171
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)Nc1cccc(F)c1
InChIInChI=1S/C18H18FN3O2/c19-14-4-3-5-16(12-14)21-18(24)20-15-8-6-13(7-9-15)17(23)22-10-1-2-11-22/h3-9,12H,1-2,10-11H2,(H2,20,21,24)
InChIKeyGKDOPWHNEARIIL-UHFFFAOYSA-N
XLogP3.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545
N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051768
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 95178508
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-(3-fluorophenyl)-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 1054408
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide
CID 25380229
N-(3-fluorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094901
1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
CID 43836137

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea (CID 6467171) is 1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is GKDOPWHNEARIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-4-3-5-16(12-14)21-18(24)20-15-8-6-13(7-9-15)17(23)22-10-1-2-11-22/h3-9,12H,1-2,10-11H2,(H2,20,21,24).
What are the key properties of 1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 327.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 6467171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).