1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea

C15H15ClFN3O2 — CID 51116678

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea
SMILESCOc1ncccc1NC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H15ClFN3O2/c1-20(9-10-11(16)5-3-6-12(10)17)15(21)19-13-7-4-8-18-14(13)22-2/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyQTVWQNUAPYIQBZ-UHFFFAOYSA-N
MW323.76 g/mol
LogP3.55
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea

1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea (PubChem CID 51116678) has the molecular formula C15H15ClFN3O2 and a molecular weight of 323.76 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea
PubChem CID51116678
Molecular FormulaC15H15ClFN3O2
Molecular Weight323.76 g/mol
Exact Mass323.08
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea
SMILESCOc1ncccc1NC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H15ClFN3O2/c1-20(9-10-11(16)5-3-6-12(10)17)15(21)19-13-7-4-8-18-14(13)22-2/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyQTVWQNUAPYIQBZ-UHFFFAOYSA-N
XLogP3.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17393832
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide
CID 134003236
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide
CID 86769878
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103753872
3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47456776
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea
CID 72904070
N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide
CID 51162479
1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94780378
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 171547538
3-[2-(2-chloro-6-fluorophenyl)ethyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 71969304
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea (CID 51116678) is 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea is COc1ncccc1NC(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea?
The InChIKey is QTVWQNUAPYIQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2/c1-20(9-10-11(16)5-3-6-12(10)17)15(21)19-13-7-4-8-18-14(13)22-2/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea?
1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea has a molecular weight of 323.76 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea is sourced from PubChem (CID 51116678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).