1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea

C14H14ClN3O — CID 108897307

IUPAC1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C14H14ClN3O/c1-10-4-2-3-5-11(10)9-17-14(19)18-13-8-12(15)6-7-16-13/h2-8H,9H2,1H3,(H2,16,17,18,19)
InChIKeySSPBFWAKIOFFQD-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.37
Rot. Bonds3

About 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea

1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea (PubChem CID 108897307) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea
PubChem CID108897307
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C14H14ClN3O/c1-10-4-2-3-5-11(10)9-17-14(19)18-13-8-12(15)6-7-16-13/h2-8H,9H2,1H3,(H2,16,17,18,19)
InChIKeySSPBFWAKIOFFQD-UHFFFAOYSA-N
XLogP3.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea
CID 108897788
1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348
1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 108897270
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
1-(4-chloro-2-pyridinyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896855
1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108881154
1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900861
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 6464449
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)methyl]urea
CID 108812444
1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
N-(4-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 115626697
1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea
CID 108814230

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea (CID 108897307) is 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea is Cc1ccccc1CNC(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea?
The InChIKey is SSPBFWAKIOFFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10-4-2-3-5-11(10)9-17-14(19)18-13-8-12(15)6-7-16-13/h2-8H,9H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea?
1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea has a molecular weight of 275.74 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 108897307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).