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

C17H17BrFN3O — CID 10177660

IUPAC1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea
SMILESO=C(Nc1ccccc1Br)N[C@@H]1CCN(c2cccc(F)c2)C1
InChIInChI=1S/C17H17BrFN3O/c18-15-6-1-2-7-16(15)21-17(23)20-13-8-9-22(11-13)14-5-3-4-12(19)10-14/h1-7,10,13H,8-9,11H2,(H2,20,21,23)/t13-/m1/s1
InChIKeyUVUJCOVQEUZIEX-CYBMUJFWSA-N
MW378.25 g/mol
LogP3.99
Rot. Bonds3

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

1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea (PubChem CID 10177660) has the molecular formula C17H17BrFN3O and a molecular weight of 378.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea
PubChem CID10177660
Molecular FormulaC17H17BrFN3O
Molecular Weight378.25 g/mol
Exact Mass377.05
IUPAC Name1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea
SMILESO=C(Nc1ccccc1Br)N[C@@H]1CCN(c2cccc(F)c2)C1
InChIInChI=1S/C17H17BrFN3O/c18-15-6-1-2-7-16(15)21-17(23)20-13-8-9-22(11-13)14-5-3-4-12(19)10-14/h1-7,10,13H,8-9,11H2,(H2,20,21,23)/t13-/m1/s1
InChIKeyUVUJCOVQEUZIEX-CYBMUJFWSA-N
XLogP3.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 9842609
1-(2-bromophenyl)-3-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]urea
CID 10199387
1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
CID 10222094
1-(2-bromophenyl)-3-[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]urea
CID 10294155
1-(2-Bromophenyl)-3-{2-[ethyl(phenyl)amino]ethyl}urea
CID 24768236
1-(2-Bromophenyl)-3-{2-[ethyl(2-methylphenyl)amino]ethyl}urea
CID 24768237
1-(2-Bromophenyl)-3-{2-[ethyl(4-methylphenyl)amino]ethyl}urea
CID 24768238
1-(2-Bromophenyl)-3-{2-[ethyl(3-fluorophenyl)amino]ethyl}urea
CID 24768239
1-(2-Bromophenyl)-3-{2-[(3,4-difluorophenyl)(ethyl)amino]ethyl}urea
CID 24768240
1-(2-Bromophenyl)-3-{2-[ethyl(3-fluoro-4-methylphenyl)amino]ethyl}urea
CID 24768241
urea TRPV1 antagonist, 21
CID 24768243
TH5487
CID 137321164

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea (CID 10177660) is 1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea is O=C(Nc1ccccc1Br)N[C@@H]1CCN(c2cccc(F)c2)C1.
What is the InChIKey of 1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea?
The InChIKey is UVUJCOVQEUZIEX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17BrFN3O/c18-15-6-1-2-7-16(15)21-17(23)20-13-8-9-22(11-13)14-5-3-4-12(19)10-14/h1-7,10,13H,8-9,11H2,(H2,20,21,23)/t13-/m1/s1.
What are the key properties of 1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea?
1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea has a molecular weight of 378.25 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 10177660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).