1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea

C18H22ClN3O2 — CID 97308686

IUPAC1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1cnccc1CCNC(=O)NC[C@](C)(O)c1ccccc1Cl
InChIInChI=1S/C18H22ClN3O2/c1-13-11-20-9-7-14(13)8-10-21-17(23)22-12-18(2,24)15-5-3-4-6-16(15)19/h3-7,9,11,24H,8,10,12H2,1-2H3,(H2,21,22,23)/t18-/m0/s1
InChIKeyNTUYLTOYWUKUCU-SFHVURJKSA-N
MW347.85 g/mol
LogP2.79
Rot. Bonds6

About 1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea

1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (PubChem CID 97308686) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
PubChem CID97308686
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1cnccc1CCNC(=O)NC[C@](C)(O)c1ccccc1Cl
InChIInChI=1S/C18H22ClN3O2/c1-13-11-20-9-7-14(13)8-10-21-17(23)22-12-18(2,24)15-5-3-4-6-16(15)19/h3-7,9,11,24H,8,10,12H2,1-2H3,(H2,21,22,23)/t18-/m0/s1
InChIKeyNTUYLTOYWUKUCU-SFHVURJKSA-N
XLogP2.79
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399204
N-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-2-pyridin-3-ylacetamide
CID 99701809
1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399192
1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399207
1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111450574
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide
CID 86793674
3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 79079687
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide
CID 75523447
1-[2-(2-chlorophenyl)-2-hydroxypropyl]-3-[(4-cyanophenyl)methyl]urea
CID 86793254
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 75389175
1-(5-hydroxypentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109398845
1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399173

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (CID 97308686) is 1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The canonical SMILES for 1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is Cc1cnccc1CCNC(=O)NC[C@](C)(O)c1ccccc1Cl.
What is the InChIKey of 1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The InChIKey is NTUYLTOYWUKUCU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-13-11-20-9-7-14(13)8-10-21-17(23)22-12-18(2,24)15-5-3-4-6-16(15)19/h3-7,9,11,24H,8,10,12H2,1-2H3,(H2,21,22,23)/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea has a molecular weight of 347.85 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-chlorophenyl)-2-hydroxypropyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is sourced from PubChem (CID 97308686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).