1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea

C16H18ClN3O2 — CID 99823700

IUPAC1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea
SMILESCC(C)Oc1ccc(NC(=O)NCc2ccccn2)c(Cl)c1
InChIInChI=1S/C16H18ClN3O2/c1-11(2)22-13-6-7-15(14(17)9-13)20-16(21)19-10-12-5-3-4-8-18-12/h3-9,11H,10H2,1-2H3,(H2,19,20,21)
InChIKeyHOFMOFNXQAJZNY-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.84
Rot. Bonds5

About 1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea

1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea (PubChem CID 99823700) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea
PubChem CID99823700
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea
SMILESCC(C)Oc1ccc(NC(=O)NCc2ccccn2)c(Cl)c1
InChIInChI=1S/C16H18ClN3O2/c1-11(2)22-13-6-7-15(14(17)9-13)20-16(21)19-10-12-5-3-4-8-18-12/h3-9,11H,10H2,1-2H3,(H2,19,20,21)
InChIKeyHOFMOFNXQAJZNY-UHFFFAOYSA-N
XLogP3.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86862763
1-(2-chloro-4-propan-2-yloxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 99823736
3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide
CID 110762427
1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009807
5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61405707
N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108502784
2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine
CID 137421499
1-(3-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)thiourea
CID 100595465
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
1-(2-chloro-4-methoxyphenyl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 86862849
1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea
CID 134086734

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea (CID 99823700) is 1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea is CC(C)Oc1ccc(NC(=O)NCc2ccccn2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea?
The InChIKey is HOFMOFNXQAJZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-11(2)22-13-6-7-15(14(17)9-13)20-16(21)19-10-12-5-3-4-8-18-12/h3-9,11H,10H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea?
1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea has a molecular weight of 319.79 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 99823700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).