1-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-3-methyl-1-phenylurea

C18H20Cl2N2O2 — CID 19834547

IUPAC1-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-3-methyl-1-phenylurea
SMILESCON(C)C(=O)N(CCCc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H20Cl2N2O2/c1-21(24-2)18(23)22(15-8-4-3-5-9-15)12-6-7-14-10-11-16(19)17(20)13-14/h3-5,8-11,13H,6-7,12H2,1-2H3
InChIKeySWDZBMYGNDAWSB-UHFFFAOYSA-N
MW367.28 g/mol
LogP5.05
Rot. Bonds6

About 1-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-3-methyl-1-phenylurea

1-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-3-methyl-1-phenylurea (PubChem CID 19834547) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 1-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-3-methyl-1-phenylurea.

Molecular Properties

Compound Name1-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-3-methyl-1-phenylurea
PubChem CID19834547
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name1-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-3-methyl-1-phenylurea
SMILESCON(C)C(=O)N(CCCc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H20Cl2N2O2/c1-21(24-2)18(23)22(15-8-4-3-5-9-15)12-6-7-14-10-11-16(19)17(20)13-14/h3-5,8-11,13H,6-7,12H2,1-2H3
InChIKeySWDZBMYGNDAWSB-UHFFFAOYSA-N
XLogP5.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.28
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dichlorophenyl)-N-methoxy-N-methylpropanamide
CID 86728179
3-[3-[3-(3,4-dichlorophenyl)propyl]phenyl]-1-methoxy-1-methylurea
CID 54419076
3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide
CID 100597497
3-(N-[2-(3,4-dichlorophenyl)acetyl]anilino)propanoic acid
CID 66759854
1-(chloromethyl)-1-(4-chlorophenyl)-3-methoxy-3-methylurea
CID 21398163
N-phenyl-N-(3-phenylpropyl)propanamide
CID 178077722
methyl 2-chloro-4-[3-(dimethylamino)propyl]benzoate
CID 70061712
13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine
CID 53446484
6-(3,4-dichlorophenyl)hexanoic acid
CID 43446941
1-butyl-3-methoxy-3-methyl-1-[3-[2-methylprop-2-enyl(propanethioyl)amino]phenyl]urea
CID 88846123
1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea
CID 53440487
3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide
CID 55027623

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-3-methyl-1-phenylurea?
The IUPAC name of 1-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-3-methyl-1-phenylurea (CID 19834547) is 1-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-3-methyl-1-phenylurea.
What is the SMILES notation for 1-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-3-methyl-1-phenylurea?
The canonical SMILES for 1-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-3-methyl-1-phenylurea is CON(C)C(=O)N(CCCc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 1-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-3-methyl-1-phenylurea?
The InChIKey is SWDZBMYGNDAWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-21(24-2)18(23)22(15-8-4-3-5-9-15)12-6-7-14-10-11-16(19)17(20)13-14/h3-5,8-11,13H,6-7,12H2,1-2H3.
What are the key properties of 1-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-3-methyl-1-phenylurea?
1-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-3-methyl-1-phenylurea has a molecular weight of 367.28 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dichlorophenyl)propyl]-3-methoxy-3-methyl-1-phenylurea is sourced from PubChem (CID 19834547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).