1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea

C16H18ClN3O3 — CID 87009935

IUPAC1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
SMILESCCOc1ccc(NC(=O)NCc2ccnc(OC)c2)cc1Cl
InChIInChI=1S/C16H18ClN3O3/c1-3-23-14-5-4-12(9-13(14)17)20-16(21)19-10-11-6-7-18-15(8-11)22-2/h4-9H,3,10H2,1-2H3,(H2,19,20,21)
InChIKeyLXLYWKAOFRHEOJ-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.46
Rot. Bonds6

About 1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea

1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea (PubChem CID 87009935) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
PubChem CID87009935
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
SMILESCCOc1ccc(NC(=O)NCc2ccnc(OC)c2)cc1Cl
InChIInChI=1S/C16H18ClN3O3/c1-3-23-14-5-4-12(9-13(14)17)20-16(21)19-10-11-6-7-18-15(8-11)22-2/h4-9H,3,10H2,1-2H3,(H2,19,20,21)
InChIKeyLXLYWKAOFRHEOJ-UHFFFAOYSA-N
XLogP3.46
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032224
1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86986628
1-(3-chloro-4-ethoxyphenyl)-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 87009940
1-(3-chloro-2-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032003
2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
CID 55140170
1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388284
1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032147
1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86995214
1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea
CID 47349978
4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293271
1-(4-amino-3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896754
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea (CID 87009935) is 1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea is CCOc1ccc(NC(=O)NCc2ccnc(OC)c2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The InChIKey is LXLYWKAOFRHEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-3-23-14-5-4-12(9-13(14)17)20-16(21)19-10-11-6-7-18-15(8-11)22-2/h4-9H,3,10H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea?
1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea has a molecular weight of 335.79 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea is sourced from PubChem (CID 87009935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).