1-benzyl-3-(4-chloro-2-pyridinyl)urea

C13H12ClN3O — CID 108871348

IUPAC1-benzyl-3-(4-chloro-2-pyridinyl)urea
SMILESO=C(NCc1ccccc1)Nc1cc(Cl)ccn1
InChIInChI=1S/C13H12ClN3O/c14-11-6-7-15-12(8-11)17-13(18)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16,17,18)
InChIKeyXKBLBSAIUBMYHV-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.06
Rot. Bonds3

About 1-benzyl-3-(4-chloro-2-pyridinyl)urea

1-benzyl-3-(4-chloro-2-pyridinyl)urea (PubChem CID 108871348) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-benzyl-3-(4-chloro-2-pyridinyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(4-chloro-2-pyridinyl)urea
PubChem CID108871348
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name1-benzyl-3-(4-chloro-2-pyridinyl)urea
SMILESO=C(NCc1ccccc1)Nc1cc(Cl)ccn1
InChIInChI=1S/C13H12ClN3O/c14-11-6-7-15-12(8-11)17-13(18)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16,17,18)
InChIKeyXKBLBSAIUBMYHV-UHFFFAOYSA-N
XLogP3.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea
CID 108897788
1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea
CID 108897307
1-(4-chloro-2-pyridinyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896855
N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide
CID 59618071
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900861
1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea
CID 72545413
1-benzyl-3-(2-bromo-5-chlorophenyl)urea
CID 103786178
1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245
1-benzyl-3-[4-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]urea
CID 68663676
1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea
CID 47237582
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chloro-2-pyridinyl)urea?
The IUPAC name of 1-benzyl-3-(4-chloro-2-pyridinyl)urea (CID 108871348) is 1-benzyl-3-(4-chloro-2-pyridinyl)urea.
What is the SMILES notation for 1-benzyl-3-(4-chloro-2-pyridinyl)urea?
The canonical SMILES for 1-benzyl-3-(4-chloro-2-pyridinyl)urea is O=C(NCc1ccccc1)Nc1cc(Cl)ccn1.
What is the InChIKey of 1-benzyl-3-(4-chloro-2-pyridinyl)urea?
The InChIKey is XKBLBSAIUBMYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-11-6-7-15-12(8-11)17-13(18)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16,17,18).
What are the key properties of 1-benzyl-3-(4-chloro-2-pyridinyl)urea?
1-benzyl-3-(4-chloro-2-pyridinyl)urea has a molecular weight of 261.71 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chloro-2-pyridinyl)urea is sourced from PubChem (CID 108871348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).