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

C18H21Cl2N3O2 — CID 24528863

IUPAC1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(C(CNC(=O)Nc2ccc(Cl)c(Cl)c2)N(C)C)c1
InChIInChI=1S/C18H21Cl2N3O2/c1-23(2)17(12-5-4-6-14(9-12)25-3)11-21-18(24)22-13-7-8-15(19)16(20)10-13/h4-10,17H,11H2,1-3H3,(H2,21,22,24)
InChIKeyHZNTYQXASIIZNM-UHFFFAOYSA-N
MW382.29 g/mol
LogP4.43
Rot. Bonds6

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

1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea (PubChem CID 24528863) has the molecular formula C18H21Cl2N3O2 and a molecular weight of 382.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
PubChem CID24528863
Molecular FormulaC18H21Cl2N3O2
Molecular Weight382.29 g/mol
Exact Mass381.10
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(C(CNC(=O)Nc2ccc(Cl)c(Cl)c2)N(C)C)c1
InChIInChI=1S/C18H21Cl2N3O2/c1-23(2)17(12-5-4-6-14(9-12)25-3)11-21-18(24)22-13-7-8-15(19)16(20)10-13/h4-10,17H,11H2,1-3H3,(H2,21,22,24)
InChIKeyHZNTYQXASIIZNM-UHFFFAOYSA-N
XLogP4.43
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 41318353
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea
CID 20856780
1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea
CID 124569034
1-(5-chloro-2-methoxyphenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 55697126
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid
CID 43445772
2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566160
2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796116
1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116754
1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 94171617
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 43001414

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea (CID 24528863) is 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea is COc1cccc(C(CNC(=O)Nc2ccc(Cl)c(Cl)c2)N(C)C)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea?
The InChIKey is HZNTYQXASIIZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2/c1-23(2)17(12-5-4-6-14(9-12)25-3)11-21-18(24)22-13-7-8-15(19)16(20)10-13/h4-10,17H,11H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea?
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea has a molecular weight of 382.29 g/mol, XLogP of 4.43, 6 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-(3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 24528863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).