1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea

C17H19N3O — CID 67251605

IUPAC1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea
SMILESO=C(Nc1ccccc1)Nc1ccccc1C1CCNC1
InChIInChI=1S/C17H19N3O/c21-17(19-14-6-2-1-3-7-14)20-16-9-5-4-8-15(16)13-10-11-18-12-13/h1-9,13,18H,10-12H2,(H2,19,20,21)
InChIKeyYNURELUJTXLESI-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.41
Rot. Bonds3

About 1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea

1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea (PubChem CID 67251605) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea
PubChem CID67251605
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea
SMILESO=C(Nc1ccccc1)Nc1ccccc1C1CCNC1
InChIInChI=1S/C17H19N3O/c21-17(19-14-6-2-1-3-7-14)20-16-9-5-4-8-15(16)13-10-11-18-12-13/h1-9,13,18H,10-12H2,(H2,19,20,21)
InChIKeyYNURELUJTXLESI-UHFFFAOYSA-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

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tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate
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1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea
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1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea
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1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea
CID 6422539
N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide
CID 124638804
4-methylsulfanyl-N-[2-[(3S)-piperidin-3-yl]phenyl]benzamide;hydrochloride
CID 67252502
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
N-[2-(phenylcarbamoylamino)phenyl]acetamide
CID 113093680
1-(azetidin-3-yl)-3-phenylurea
CID 66185847
(2R)-2-methoxy-2-phenyl-N-(4-pyrrolidin-3-ylphenyl)acetamide
CID 67240693
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride
CID 67238951

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea?
The IUPAC name of 1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea (CID 67251605) is 1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea.
What is the SMILES notation for 1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea?
The canonical SMILES for 1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea is O=C(Nc1ccccc1)Nc1ccccc1C1CCNC1.
What is the InChIKey of 1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea?
The InChIKey is YNURELUJTXLESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(19-14-6-2-1-3-7-14)20-16-9-5-4-8-15(16)13-10-11-18-12-13/h1-9,13,18H,10-12H2,(H2,19,20,21).
What are the key properties of 1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea?
1-phenyl-3-(2-pyrrolidin-3-ylphenyl)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-(2-pyrrolidin-3-ylphenyl)urea is sourced from PubChem (CID 67251605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).