3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea

C14H14ClN3O2 — CID 21391446

IUPAC3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(Oc2cccc(Cl)n2)cc1
InChIInChI=1S/C14H14ClN3O2/c1-18(2)14(19)16-10-6-8-11(9-7-10)20-13-5-3-4-12(15)17-13/h3-9H,1-2H3,(H,16,19)
InChIKeyBLEKEGCJVOTAKK-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.62
Rot. Bonds3

About 3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea

3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea (PubChem CID 21391446) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea
PubChem CID21391446
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(Oc2cccc(Cl)n2)cc1
InChIInChI=1S/C14H14ClN3O2/c1-18(2)14(19)16-10-6-8-11(9-7-10)20-13-5-3-4-12(15)17-13/h3-9H,1-2H3,(H,16,19)
InChIKeyBLEKEGCJVOTAKK-UHFFFAOYSA-N
XLogP3.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(6-chloro-2-pyridinyl)sulfanyl]phenyl]-1,1-dimethylurea
CID 21391423
3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea
CID 21391449
3-[4-[4-[4-(dimethylcarbamoylamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1-dimethylurea
CID 18801582
[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanol
CID 63586509
methyl 3-[(6-chloro-2-pyridinyl)oxy]benzoate
CID 3784687
N-[4-[(6-chloro-2-methyl-3-pyridinyl)oxy]phenyl]acetamide
CID 82225235
6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 62234186
tris(3-(4-chlorophenyl)-1,1-dimethylurea);bis(3-(4-chlorophenyl)-1-methoxy-1-methylurea)
CID 173361300
1,1-dimethyl-3-[4-(3-prop-2-ynoxyphenoxy)phenyl]urea
CID 20507025
3-[4-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)oxy]phenyl]-1-methoxy-1-methylurea
CID 134119610
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
N-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide
CID 21486829

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea (CID 21391446) is 3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea is CN(C)C(=O)Nc1ccc(Oc2cccc(Cl)n2)cc1.
What is the InChIKey of 3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea?
The InChIKey is BLEKEGCJVOTAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-18(2)14(19)16-10-6-8-11(9-7-10)20-13-5-3-4-12(15)17-13/h3-9H,1-2H3,(H,16,19).
What are the key properties of 3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea?
3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea has a molecular weight of 291.74 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea is sourced from PubChem (CID 21391446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).