1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea

C17H19N3O — CID 124566335

IUPAC1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc([C@H]2CCNC2)cc1
InChIInChI=1S/C17H19N3O/c21-17(19-15-4-2-1-3-5-15)20-16-8-6-13(7-9-16)14-10-11-18-12-14/h1-9,14,18H,10-12H2,(H2,19,20,21)/t14-/m0/s1
InChIKeyFILGYOAPMPEHCJ-AWEZNQCLSA-N
MW281.36 g/mol
LogP3.41
Rot. Bonds3

About 1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea

1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea (PubChem CID 124566335) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
PubChem CID124566335
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc([C@H]2CCNC2)cc1
InChIInChI=1S/C17H19N3O/c21-17(19-15-4-2-1-3-5-15)20-16-8-6-13(7-9-16)14-10-11-18-12-14/h1-9,14,18H,10-12H2,(H2,19,20,21)/t14-/m0/s1
InChIKeyFILGYOAPMPEHCJ-AWEZNQCLSA-N
XLogP3.41
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea
CID 124564227
1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea
CID 67251605
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride
CID 67238951
1-methyl-1-phenyl-3-[4-[(3S)-pyrrolidin-3-yl]phenyl]urea
CID 124566450
(2R)-2-methoxy-2-phenyl-N-(4-pyrrolidin-3-ylphenyl)acetamide
CID 67240693
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
ethane;3-phenylpyrrolidine
CID 91032726
N-(4-cyclohexylphenyl)formamide;3-phenylpyrrolidine
CID 156839471
4-ethynyl-N-(4-pyrrolidin-3-ylphenyl)benzamide
CID 53250757
N-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride
CID 67239714
2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide
CID 124566217
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea?
The IUPAC name of 1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea (CID 124566335) is 1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea?
The canonical SMILES for 1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea is O=C(Nc1ccccc1)Nc1ccc([C@H]2CCNC2)cc1.
What is the InChIKey of 1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea?
The InChIKey is FILGYOAPMPEHCJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(19-15-4-2-1-3-5-15)20-16-8-6-13(7-9-16)14-10-11-18-12-14/h1-9,14,18H,10-12H2,(H2,19,20,21)/t14-/m0/s1.
What are the key properties of 1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea?
1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea has a molecular weight of 281.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea is sourced from PubChem (CID 124566335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).