1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea

C16H18Cl2N4O — CID 20856780

IUPAC1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea
SMILESCN(C)C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccnc1
InChIInChI=1S/C16H18Cl2N4O/c1-22(2)15(11-4-3-7-19-9-11)10-20-16(23)21-12-5-6-13(17)14(18)8-12/h3-9,15H,10H2,1-2H3,(H2,20,21,23)
InChIKeyGGRRXPCIQGULDQ-UHFFFAOYSA-N
MW353.25 g/mol
LogP3.81
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea

1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea (PubChem CID 20856780) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea
PubChem CID20856780
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea
SMILESCN(C)C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccnc1
InChIInChI=1S/C16H18Cl2N4O/c1-22(2)15(11-4-3-7-19-9-11)10-20-16(23)21-12-5-6-13(17)14(18)8-12/h3-9,15H,10H2,1-2H3,(H2,20,21,23)
InChIKeyGGRRXPCIQGULDQ-UHFFFAOYSA-N
XLogP3.81
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 24528863
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18101908
1-(3,4-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916216
1-(3-chlorophenyl)-3-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 41318353
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97089206
2-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide
CID 60543539
1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
CID 40653606
1-(3,4-dichlorophenyl)-3-(2,3-dihydroxypropyl)urea
CID 3712239
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea
CID 124569034
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea (CID 20856780) is 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea is CN(C)C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccnc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea?
The InChIKey is GGRRXPCIQGULDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c1-22(2)15(11-4-3-7-19-9-11)10-20-16(23)21-12-5-6-13(17)14(18)8-12/h3-9,15H,10H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea?
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea has a molecular weight of 353.25 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea is sourced from PubChem (CID 20856780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).