3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea

C21H20ClN3O — CID 121084605

IUPAC3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
SMILESO=C(Nc1cccc(Cl)c1)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C21H20ClN3O/c22-18-9-6-11-19(15-18)24-21(26)25(16-20-10-4-5-13-23-20)14-12-17-7-2-1-3-8-17/h1-11,13,15H,12,14,16H2,(H,24,26)
InChIKeyJSCARUKEVXXPED-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.01
Rot. Bonds6

About 3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea

3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea (PubChem CID 121084605) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
PubChem CID121084605
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
SMILESO=C(Nc1cccc(Cl)c1)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C21H20ClN3O/c22-18-9-6-11-19(15-18)24-21(26)25(16-20-10-4-5-13-23-20)14-12-17-7-2-1-3-8-17/h1-11,13,15H,12,14,16H2,(H,24,26)
InChIKeyJSCARUKEVXXPED-UHFFFAOYSA-N
XLogP5.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084600
3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea
CID 667086
3-(3-chlorophenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)urea
CID 42702097
2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 56764008
3-(3-methylsulfanylphenyl)-1,1-bis(pyridin-2-ylmethyl)urea
CID 23820633
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea
CID 42709458
1-[(4-tert-butylphenyl)methyl]-3-(3-methylphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 42704672
3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084535
1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 121084597
2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3417946
1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dichlorophenyl)-1-(2-pyridin-2-ylethyl)urea
CID 42725101
N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 10229409

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea (CID 121084605) is 3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea is O=C(Nc1cccc(Cl)c1)N(CCc1ccccc1)Cc1ccccn1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea?
The InChIKey is JSCARUKEVXXPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-18-9-6-11-19(15-18)24-21(26)25(16-20-10-4-5-13-23-20)14-12-17-7-2-1-3-8-17/h1-11,13,15H,12,14,16H2,(H,24,26).
What are the key properties of 3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea?
3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea has a molecular weight of 365.86 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 121084605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).