1-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)urea

C13H11Cl2N3O — CID 734408

IUPAC1-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O/c14-11-4-3-10(6-12(11)15)18-13(19)17-8-9-2-1-5-16-7-9/h1-7H,8H2,(H2,17,18,19)
InChIKeyGIZKRKBHSIQFND-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.71
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)urea

1-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 734408) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID734408
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name1-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O/c14-11-4-3-10(6-12(11)15)18-13(19)17-8-9-2-1-5-16-7-9/h1-7H,8H2,(H2,17,18,19)
InChIKeyGIZKRKBHSIQFND-UHFFFAOYSA-N
XLogP3.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Forchlorfenuron
CID 93379
1-(3,4-Dichlorophenyl)-3-(2-pyridyl)urea
CID 786649
N-(3,4-Dichlorophenyl)-3-pyridinecarboxamide
CID 668892
1-(4-Chlorophenyl)-3-(3-pyridylmethyl)urea
CID 3676263
1-(4-Chlorophenyl)-3-(pyridin-4-yl)urea
CID 677052
2,4-dichloro-N-[(pyridin-3-yl)methyl]aniline
CID 2804511
4-chloro-N-(pyridin-3-ylmethyl)aniline
CID 2804545
N-(4-Chlorophenyl)-N'-(3-pyridinyl)urea
CID 759079
1-Phenyl-3-(3-pyridylmethyl)urea
CID 853670
1-(2-Chlorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4426513
1-(3-Chlorophenyl)-3-(3-methylpyridin-2-yl)urea
CID 836690
1-(3-Chloro-4-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 4143687

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)urea (CID 734408) is 1-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is GIZKRKBHSIQFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-11-4-3-10(6-12(11)15)18-13(19)17-8-9-2-1-5-16-7-9/h1-7H,8H2,(H2,17,18,19).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)urea?
1-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 296.16 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 734408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).