1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea

C12H16ClN3O2 — CID 125169589

IUPAC1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
SMILESO=C(NC[C@@]1(O)CCNC1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H16ClN3O2/c13-9-2-1-3-10(6-9)16-11(17)15-8-12(18)4-5-14-7-12/h1-3,6,14,18H,4-5,7-8H2,(H2,15,16,17)/t12-/m1/s1
InChIKeyUGPHRIVEVLHEKL-GFCCVEGCSA-N
MW269.73 g/mol
LogP1.19
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea

1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea (PubChem CID 125169589) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
PubChem CID125169589
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
SMILESO=C(NC[C@@]1(O)CCNC1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H16ClN3O2/c13-9-2-1-3-10(6-9)16-11(17)15-8-12(18)4-5-14-7-12/h1-3,6,14,18H,4-5,7-8H2,(H2,15,16,17)/t12-/m1/s1
InChIKeyUGPHRIVEVLHEKL-GFCCVEGCSA-N
XLogP1.19
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169385
1-(3-butoxyphenyl)-3-[(3-hydroxypyrrolidin-3-yl)methyl]urea
CID 118785673
1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea
CID 124523480
1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea
CID 114189607
1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 61176836
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(2,4,5-trifluorophenyl)urea;hydrochloride
CID 154903222
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 74248365
1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea
CID 125163782
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
1-(4-amino-4-sulfanylidenebutyl)-3-(3-chlorophenyl)urea
CID 62668290

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea (CID 125169589) is 1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea is O=C(NC[C@@]1(O)CCNC1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea?
The InChIKey is UGPHRIVEVLHEKL-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-9-2-1-3-10(6-9)16-11(17)15-8-12(18)4-5-14-7-12/h1-3,6,14,18H,4-5,7-8H2,(H2,15,16,17)/t12-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea?
1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea has a molecular weight of 269.73 g/mol, XLogP of 1.19, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 125169589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).