1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea

C14H13ClFN3O — CID 17393832

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
SMILESCN(Cc1c(F)cccc1Cl)C(=O)Nc1cccnc1
InChIInChI=1S/C14H13ClFN3O/c1-19(9-11-12(15)5-2-6-13(11)16)14(20)18-10-4-3-7-17-8-10/h2-8H,9H2,1H3,(H,18,20)
InChIKeyMLUBFDJPOQQJOA-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.54
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea

1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea (PubChem CID 17393832) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
PubChem CID17393832
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
SMILESCN(Cc1c(F)cccc1Cl)C(=O)Nc1cccnc1
InChIInChI=1S/C14H13ClFN3O/c1-19(9-11-12(15)5-2-6-13(11)16)14(20)18-10-4-3-7-17-8-10/h2-8H,9H2,1H3,(H,18,20)
InChIKeyMLUBFDJPOQQJOA-UHFFFAOYSA-N
XLogP3.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17403084
1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea
CID 51116678
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
1-[(2-chloro-6-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 45011773
1-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-pyridin-3-ylurea
CID 97218475
1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea
CID 18101732
3-[2-(2-chloro-6-fluorophenyl)ethyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 71969304
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103753872
1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 51264469
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide
CID 951606
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea (CID 17393832) is 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea is CN(Cc1c(F)cccc1Cl)C(=O)Nc1cccnc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea?
The InChIKey is MLUBFDJPOQQJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-19(9-11-12(15)5-2-6-13(11)16)14(20)18-10-4-3-7-17-8-10/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea?
1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea has a molecular weight of 293.73 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea is sourced from PubChem (CID 17393832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).