1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea

C21H26ClN3O2 — CID 42954314

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
SMILESO=C(NCCc1cccc(Cl)c1)NC(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H26ClN3O2/c22-19-8-4-5-17(15-19)9-10-23-21(26)24-20(18-6-2-1-3-7-18)16-25-11-13-27-14-12-25/h1-8,15,20H,9-14,16H2,(H2,23,24,26)
InChIKeyXHTFQSNGQLICBE-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.26
Rot. Bonds7

About 1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea

1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea (PubChem CID 42954314) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
PubChem CID42954314
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
SMILESO=C(NCCc1cccc(Cl)c1)NC(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H26ClN3O2/c22-19-8-4-5-17(15-19)9-10-23-21(26)24-20(18-6-2-1-3-7-18)16-25-11-13-27-14-12-25/h1-8,15,20H,9-14,16H2,(H2,23,24,26)
InChIKeyXHTFQSNGQLICBE-UHFFFAOYSA-N
XLogP3.26
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)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

[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
1-(2-morpholin-4-yl-1-phenylethyl)-3-(2-naphthalen-2-yloxyethyl)urea
CID 112817994
N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016754
1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 78860899
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 112834684
2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994936
3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844981
2-(3-methoxyphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 18166755
1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 112818589
1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 51727871
2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide
CID 39991780
2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148647

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea (CID 42954314) is 1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea is O=C(NCCc1cccc(Cl)c1)NC(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea?
The InChIKey is XHTFQSNGQLICBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c22-19-8-4-5-17(15-19)9-10-23-21(26)24-20(18-6-2-1-3-7-18)16-25-11-13-27-14-12-25/h1-8,15,20H,9-14,16H2,(H2,23,24,26).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea?
1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea has a molecular weight of 387.91 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea is sourced from PubChem (CID 42954314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).