1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea

C18H22ClN3O2 — CID 24528854

IUPAC1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1C(CNC(=O)Nc1cccc(Cl)c1)N(C)C
InChIInChI=1S/C18H22ClN3O2/c1-22(2)16(15-9-4-5-10-17(15)24-3)12-20-18(23)21-14-8-6-7-13(19)11-14/h4-11,16H,12H2,1-3H3,(H2,20,21,23)
InChIKeySMELNTIGMDXZCE-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.77
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea

1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea (PubChem CID 24528854) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
PubChem CID24528854
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1C(CNC(=O)Nc1cccc(Cl)c1)N(C)C
InChIInChI=1S/C18H22ClN3O2/c1-22(2)16(15-9-4-5-10-17(15)24-3)12-20-18(23)21-14-8-6-7-13(19)11-14/h4-11,16H,12H2,1-3H3,(H2,20,21,23)
InChIKeySMELNTIGMDXZCE-UHFFFAOYSA-N
XLogP3.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-3-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 41318353
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
1-(3,5-dichlorophenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
CID 51944301
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea
CID 17470191
1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 41036483
N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
CID 41454514
1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24664488
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 43011556
4-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 86918117
1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111176583
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
2,3-dichloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 55350129

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea (CID 24528854) is 1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea is COc1ccccc1C(CNC(=O)Nc1cccc(Cl)c1)N(C)C.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is SMELNTIGMDXZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-22(2)16(15-9-4-5-10-17(15)24-3)12-20-18(23)21-14-8-6-7-13(19)11-14/h4-11,16H,12H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea?
1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 347.85 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 24528854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).