3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea

C16H18ClN3O2 — CID 71974542

IUPAC3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
SMILESO=C(Nc1ccccc1Cl)N(CCCO)Cc1ccncc1
InChIInChI=1S/C16H18ClN3O2/c17-14-4-1-2-5-15(14)19-16(22)20(10-3-11-21)12-13-6-8-18-9-7-13/h1-2,4-9,21H,3,10-12H2,(H,19,22)
InChIKeyGOVIHDHTWVMXFE-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.15
Rot. Bonds6

About 3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea

3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea (PubChem CID 71974542) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
PubChem CID71974542
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
SMILESO=C(Nc1ccccc1Cl)N(CCCO)Cc1ccncc1
InChIInChI=1S/C16H18ClN3O2/c17-14-4-1-2-5-15(14)19-16(22)20(10-3-11-21)12-13-6-8-18-9-7-13/h1-2,4-9,21H,3,10-12H2,(H,19,22)
InChIKeyGOVIHDHTWVMXFE-UHFFFAOYSA-N
XLogP3.15
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111022328
3-(2-chloro-4,6-dimethylphenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 74246739
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea
CID 47815542
3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
CID 17344296
3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 97226906
1-(3-hydroxypropyl)-3-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-(pyridin-4-ylmethyl)urea
CID 97226968
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113120650
N-(2-chlorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108500313
3-(2-methylphenyl)-1-[3-(2-methylpiperidin-1-yl)propyl]-1-(pyridin-4-ylmethyl)urea
CID 42700766
3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea
CID 52821871
1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea
CID 111521290
3-[(1S)-cyclohex-2-en-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 97084993

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea (CID 71974542) is 3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea is O=C(Nc1ccccc1Cl)N(CCCO)Cc1ccncc1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea?
The InChIKey is GOVIHDHTWVMXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-14-4-1-2-5-15(14)19-16(22)20(10-3-11-21)12-13-6-8-18-9-7-13/h1-2,4-9,21H,3,10-12H2,(H,19,22).
What are the key properties of 3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea?
3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea has a molecular weight of 319.79 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 71974542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).