1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea

C20H23Cl2N3O2 — CID 2326038

IUPAC1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
SMILESC[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H23Cl2N3O2/c1-14(23-20(26)24-16-7-8-17(21)18(22)13-16)19(15-5-3-2-4-6-15)25-9-11-27-12-10-25/h2-8,13-14,19H,9-12H2,1H3,(H2,23,24,26)/t14-,19-/m0/s1
InChIKeyWJMIMXYRGJRXJX-LIRRHRJNSA-N
MW408.33 g/mol
LogP4.58
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea

1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea (PubChem CID 2326038) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
PubChem CID2326038
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
SMILESC[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H23Cl2N3O2/c1-14(23-20(26)24-16-7-8-17(21)18(22)13-16)19(15-5-3-2-4-6-15)25-9-11-27-12-10-25/h2-8,13-14,19H,9-12H2,1H3,(H2,23,24,26)/t14-,19-/m0/s1
InChIKeyWJMIMXYRGJRXJX-LIRRHRJNSA-N
XLogP4.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]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-(3,4-dichlorophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326040
1-(4-cyanophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 51934898
1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 51934899
1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea
CID 3885285
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8555472
1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea
CID 7111013
1-(3,4-dimethylphenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]thiourea
CID 8656530
N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide
CID 146098369
1-(3-methylphenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]thiourea
CID 8656574
2-fluoro-N-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328047
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1S,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8552654
(2S)-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 945760

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea (CID 2326038) is 1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea is C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea?
The InChIKey is WJMIMXYRGJRXJX-LIRRHRJNSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-14(23-20(26)24-16-7-8-17(21)18(22)13-16)19(15-5-3-2-4-6-15)25-9-11-27-12-10-25/h2-8,13-14,19H,9-12H2,1H3,(H2,23,24,26)/t14-,19-/m0/s1.
What are the key properties of 1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea?
1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea has a molecular weight of 408.33 g/mol, XLogP of 4.58, 5 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-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea is sourced from PubChem (CID 2326038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).