1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea

C15H16ClN3O — CID 692924

IUPAC1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea
SMILESCNC(=O)N(Cc1cccnc1)Cc1ccccc1Cl
InChIInChI=1S/C15H16ClN3O/c1-17-15(20)19(10-12-5-4-8-18-9-12)11-13-6-2-3-7-14(13)16/h2-9H,10-11H2,1H3,(H,17,20)
InChIKeyFXXFDGYQTHXIIL-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.08
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea

1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea (PubChem CID 692924) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea
PubChem CID692924
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea
SMILESCNC(=O)N(Cc1cccnc1)Cc1ccccc1Cl
InChIInChI=1S/C15H16ClN3O/c1-17-15(20)19(10-12-5-4-8-18-9-12)11-13-6-2-3-7-14(13)16/h2-9H,10-11H2,1H3,(H,17,20)
InChIKeyFXXFDGYQTHXIIL-UHFFFAOYSA-N
XLogP3.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4089369
1-[(2-methylphenyl)methyl]-3-pyridin-3-yl-1-(pyridin-3-ylmethyl)urea
CID 47075709
3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 47848242
N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 168853808
3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111022328
1-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)thiourea
CID 2726728
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62558301
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 168853651
3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 95278483
1-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
CID 1459942
N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
CID 168853794

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea (CID 692924) is 1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea is CNC(=O)N(Cc1cccnc1)Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea?
The InChIKey is FXXFDGYQTHXIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-17-15(20)19(10-12-5-4-8-18-9-12)11-13-6-2-3-7-14(13)16/h2-9H,10-11H2,1H3,(H,17,20).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea?
1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea has a molecular weight of 289.77 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 692924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).