1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea

C16H17Cl2N3O2 — CID 47815542

IUPAC1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)N(CCCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N3O2/c17-14-5-4-12(9-15(14)18)11-21(7-2-8-22)16(23)20-13-3-1-6-19-10-13/h1,3-6,9-10,22H,2,7-8,11H2,(H,20,23)
InChIKeyXVFFYIIRNMWNMB-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.80
Rot. Bonds6

About 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea

1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea (PubChem CID 47815542) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea
PubChem CID47815542
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)N(CCCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N3O2/c17-14-5-4-12(9-15(14)18)11-21(7-2-8-22)16(23)20-13-3-1-6-19-10-13/h1,3-6,9-10,22H,2,7-8,11H2,(H,20,23)
InChIKeyXVFFYIIRNMWNMB-UHFFFAOYSA-N
XLogP3.80
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea
CID 52821871
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea
CID 47815544
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-nitrophenyl)urea
CID 47815545
1-[(3,4-dichlorophenyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxypropyl)urea
CID 47076618
1-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-1-(pyridin-3-ylmethyl)urea
CID 2282452
3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111102179
3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 71974542
1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea
CID 111121985
1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea
CID 60591438
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
3-(4-bromophenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3,3-diphenylpropyl)urea
CID 42657018

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea (CID 47815542) is 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea is O=C(Nc1cccnc1)N(CCCO)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea?
The InChIKey is XVFFYIIRNMWNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c17-14-5-4-12(9-15(14)18)11-21(7-2-8-22)16(23)20-13-3-1-6-19-10-13/h1,3-6,9-10,22H,2,7-8,11H2,(H,20,23).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea?
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea has a molecular weight of 354.24 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 47815542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).