1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea

C17H18FN3O — CID 95283122

IUPAC1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
SMILESO=C(Nc1ccccc1F)N[C@@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C17H18FN3O/c18-15-8-4-5-9-16(15)20-17(22)19-13-10-11-21(12-13)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H2,19,20,22)/t13-/m1/s1
InChIKeyLDYHRGHQANKPHE-CYBMUJFWSA-N
MW299.35 g/mol
LogP3.23
Rot. Bonds3

About 1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea

1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea (PubChem CID 95283122) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
PubChem CID95283122
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
SMILESO=C(Nc1ccccc1F)N[C@@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C17H18FN3O/c18-15-8-4-5-9-16(15)20-17(22)19-13-10-11-21(12-13)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H2,19,20,22)/t13-/m1/s1
InChIKeyLDYHRGHQANKPHE-CYBMUJFWSA-N
XLogP3.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 67293554
1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 95051771
1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea
CID 86830653
1-(2-bromophenyl)-3-[1-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]urea
CID 22327593
1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
CID 10222094
1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241131
1-(2,3-difluorophenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241132
N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 47815472
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
CID 67002034
1-[1-(3-methylphenyl)pyrrolidin-3-yl]-3-naphthalen-1-ylurea
CID 22327579

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea (CID 95283122) is 1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea is O=C(Nc1ccccc1F)N[C@@H]1CCN(c2ccccc2)C1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is LDYHRGHQANKPHE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-15-8-4-5-9-16(15)20-17(22)19-13-10-11-21(12-13)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H2,19,20,22)/t13-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea?
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 299.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 95283122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).