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

C17H19Cl2N3O — CID 24528764

IUPAC1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea
SMILESCN(C)CC(NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H19Cl2N3O/c1-22(2)11-16(12-6-4-3-5-7-12)21-17(23)20-13-8-9-14(18)15(19)10-13/h3-10,16H,11H2,1-2H3,(H2,20,21,23)
InChIKeyPVSYMFXIUKBAGQ-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.42
Rot. Bonds5

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

1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea (PubChem CID 24528764) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea
PubChem CID24528764
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea
SMILESCN(C)CC(NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H19Cl2N3O/c1-22(2)11-16(12-6-4-3-5-7-12)21-17(23)20-13-8-9-14(18)15(19)10-13/h3-10,16H,11H2,1-2H3,(H2,20,21,23)
InChIKeyPVSYMFXIUKBAGQ-UHFFFAOYSA-N
XLogP4.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea
CID 97314632
1-[2-(dimethylamino)-1-phenylethyl]-3-(4-nitrophenyl)urea
CID 86910236
tert-butyl N-[5-[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]-2-fluorophenyl]carbamate
CID 86970318
methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate
CID 6588185
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 78881674
2-chloro-5-[1-(dimethylamino)propan-2-ylcarbamoylamino]benzoic acid
CID 82937671
(2S)-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 945760
N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide
CID 24504307
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
CID 78881535
1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea
CID 8933297
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea (CID 24528764) is 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea is CN(C)CC(NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea?
The InChIKey is PVSYMFXIUKBAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-22(2)11-16(12-6-4-3-5-7-12)21-17(23)20-13-8-9-14(18)15(19)10-13/h3-10,16H,11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea?
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea has a molecular weight of 352.27 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea is sourced from PubChem (CID 24528764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).