1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea

C15H16ClN3O — CID 108892033

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H16ClN3O/c1-11-2-7-14(10-18-11)19-15(20)17-9-8-12-3-5-13(16)6-4-12/h2-7,10H,8-9H2,1H3,(H2,17,19,20)
InChIKeyKJZJUVYHOPUHNI-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.41
Rot. Bonds4

About 1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea

1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea (PubChem CID 108892033) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
PubChem CID108892033
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H16ClN3O/c1-11-2-7-14(10-18-11)19-15(20)17-9-8-12-3-5-13(16)6-4-12/h2-7,10H,8-9H2,1H3,(H2,17,19,20)
InChIKeyKJZJUVYHOPUHNI-UHFFFAOYSA-N
XLogP3.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
3-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 84581881
1-[2-(2-fluorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
CID 108900164
4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid
CID 108891822
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
CID 155436724
1-(4-chlorophenyl)-3-[2-(4-cyanophenyl)ethyl]urea
CID 155436717
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
1-[2-(4-chlorophenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869954
1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108886244
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 108891823

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea (CID 108892033) is 1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea is Cc1ccc(NC(=O)NCCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is KJZJUVYHOPUHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-11-2-7-14(10-18-11)19-15(20)17-9-8-12-3-5-13(16)6-4-12/h2-7,10H,8-9H2,1H3,(H2,17,19,20).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea?
1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea has a molecular weight of 289.77 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 108892033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).