1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea

C14H13BrClN3O — CID 85470187

IUPAC1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea
SMILESCN(C(=O)N(C)c1cccc(Cl)c1)c1ccc(Br)nc1
InChIInChI=1S/C14H13BrClN3O/c1-18(11-5-3-4-10(16)8-11)14(20)19(2)12-6-7-13(15)17-9-12/h3-9H,1-2H3
InChIKeyLOKOTYANSNLZTA-UHFFFAOYSA-N
MW354.64 g/mol
LogP4.19
Rot. Bonds2

About 1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea

1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea (PubChem CID 85470187) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is 1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea
PubChem CID85470187
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC Name1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea
SMILESCN(C(=O)N(C)c1cccc(Cl)c1)c1ccc(Br)nc1
InChIInChI=1S/C14H13BrClN3O/c1-18(11-5-3-4-10(16)8-11)14(20)19(2)12-6-7-13(15)17-9-12/h3-9H,1-2H3
InChIKeyLOKOTYANSNLZTA-UHFFFAOYSA-N
XLogP4.19
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide
CID 178122837
1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea
CID 125478630
propyl N-(3-chlorophenyl)-N-methylcarbamate
CID 174449903
N-(3-chlorophenyl)-2-[(5-chloro-1,3,4-thiadiazol-2-yl)oxy]-N-methylacetamide
CID 19905026
5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide
CID 113236277
N-(3-chlorophenyl)-N-hydroxyacetamide
CID 13158205
1-(3-chlorophenyl)-2-hydroxy-1-methylguanidine
CID 88840581
1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea
CID 54524786
(2S)-2-amino-3-(3-chloro-N-methylanilino)propanoic acid
CID 172529649
N-(3-chlorophenyl)-1-cyano-N-methylmethanethioamide
CID 131854278
1,3-dimethyl-1-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-3-phenylurea
CID 121485750
2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzamide
CID 62003309

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea?
The IUPAC name of 1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea (CID 85470187) is 1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea.
What is the SMILES notation for 1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea?
The canonical SMILES for 1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea is CN(C(=O)N(C)c1cccc(Cl)c1)c1ccc(Br)nc1.
What is the InChIKey of 1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea?
The InChIKey is LOKOTYANSNLZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c1-18(11-5-3-4-10(16)8-11)14(20)19(2)12-6-7-13(15)17-9-12/h3-9H,1-2H3.
What are the key properties of 1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea?
1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea has a molecular weight of 354.64 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea is sourced from PubChem (CID 85470187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).