1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea

C22H21Cl2N3O — CID 42709458

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea
SMILESCc1ccccc1NC(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccccn1
InChIInChI=1S/C22H21Cl2N3O/c1-16-6-2-3-8-21(16)26-22(28)27(15-19-7-4-5-12-25-19)13-11-17-9-10-18(23)14-20(17)24/h2-10,12,14H,11,13,15H2,1H3,(H,26,28)
InChIKeyKPNNVGGLEHBKSJ-UHFFFAOYSA-N
MW414.34 g/mol
LogP5.97
Rot. Bonds6

About 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea

1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea (PubChem CID 42709458) has the molecular formula C22H21Cl2N3O and a molecular weight of 414.34 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea
PubChem CID42709458
Molecular FormulaC22H21Cl2N3O
Molecular Weight414.34 g/mol
Exact Mass413.11
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea
SMILESCc1ccccc1NC(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccccn1
InChIInChI=1S/C22H21Cl2N3O/c1-16-6-2-3-8-21(16)26-22(28)27(15-19-7-4-5-12-25-19)13-11-17-9-10-18(23)14-20(17)24/h2-10,12,14H,11,13,15H2,1H3,(H,26,28)
InChIKeyKPNNVGGLEHBKSJ-UHFFFAOYSA-N
XLogP5.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.34
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide
CID 42709442
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 42697255
3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084605
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide
CID 109006897
3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084600
3-(5-chloro-2-methoxyphenyl)-1-(2-pyridin-2-ylethyl)-1-(pyridin-3-ylmethyl)urea
CID 166228293
1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
CID 42709110
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 100605551
2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 56764008
3-(2,3-dichlorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)urea
CID 42698230
3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea
CID 667086

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea (CID 42709458) is 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea is Cc1ccccc1NC(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccccn1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea?
The InChIKey is KPNNVGGLEHBKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O/c1-16-6-2-3-8-21(16)26-22(28)27(15-19-7-4-5-12-25-19)13-11-17-9-10-18(23)14-20(17)24/h2-10,12,14H,11,13,15H2,1H3,(H,26,28).
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea?
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea has a molecular weight of 414.34 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 42709458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).