1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea

C13H11BrClN3O — CID 108898055

IUPAC1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea
SMILESO=C(NCc1ccccc1Br)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H11BrClN3O/c14-11-4-2-1-3-9(11)7-17-13(19)18-12-6-5-10(15)8-16-12/h1-6,8H,7H2,(H2,16,17,18,19)
InChIKeyFWGWGOOYAKYRQD-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.82
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea

1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea (PubChem CID 108898055) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea
PubChem CID108898055
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea
SMILESO=C(NCc1ccccc1Br)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H11BrClN3O/c14-11-4-2-1-3-9(11)7-17-13(19)18-12-6-5-10(15)8-16-12/h1-6,8H,7H2,(H2,16,17,18,19)
InChIKeyFWGWGOOYAKYRQD-UHFFFAOYSA-N
XLogP3.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900168
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 6464449
1-(5-chloro-2-pyridinyl)-3-propylurea
CID 17276170
1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
CID 901016
1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883302
1-[(2-bromophenyl)methyl]-3-(3-chloro-2-methylphenyl)urea
CID 17379764
2-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide
CID 1335961
1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108884029
1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea
CID 108897307
N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide
CID 61414332
1-benzhydryl-3-(5-chloro-2-pyridinyl)urea
CID 108867612
1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea
CID 108897788

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea (CID 108898055) is 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea is O=C(NCc1ccccc1Br)Nc1ccc(Cl)cn1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea?
The InChIKey is FWGWGOOYAKYRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c14-11-4-2-1-3-9(11)7-17-13(19)18-12-6-5-10(15)8-16-12/h1-6,8H,7H2,(H2,16,17,18,19).
What are the key properties of 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea?
1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea has a molecular weight of 340.61 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea is sourced from PubChem (CID 108898055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).