1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea

C18H16ClN3O2 — CID 71970121

IUPAC1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)NC(c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C18H16ClN3O2/c19-14-6-3-5-13(11-14)17(16-8-1-2-9-20-16)22-18(23)21-12-15-7-4-10-24-15/h1-11,17H,12H2,(H2,21,22,23)
InChIKeyBXZFBSLXPHUXAJ-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.92
Rot. Bonds5

About 1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea

1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea (PubChem CID 71970121) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea
PubChem CID71970121
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)NC(c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C18H16ClN3O2/c19-14-6-3-5-13(11-14)17(16-8-1-2-9-20-16)22-18(23)21-12-15-7-4-10-24-15/h1-11,17H,12H2,(H2,21,22,23)
InChIKeyBXZFBSLXPHUXAJ-UHFFFAOYSA-N
XLogP3.92
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 97084688
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 110924300
3-(furan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008392
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974
4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide
CID 120597413
N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-pyridin-2-ylacetamide
CID 110373448
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-pyridin-2-ylacetamide
CID 110373543
N-(furan-2-ylmethyl)-2-(1-pyridin-2-ylethylamino)propanamide
CID 43396718
N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
CID 81401992
2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide
CID 96542751
(2R)-N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97227060
N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066368

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea (CID 71970121) is 1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea is O=C(NCc1ccco1)NC(c1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of 1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea?
The InChIKey is BXZFBSLXPHUXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-14-6-3-5-13(11-14)17(16-8-1-2-9-20-16)22-18(23)21-12-15-7-4-10-24-15/h1-11,17H,12H2,(H2,21,22,23).
What are the key properties of 1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea?
1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 341.80 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 71970121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).