3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea

C21H25Cl2N3O2 — CID 5011395

IUPAC3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccc(Cl)c1
InChIInChI=1S/C21H25Cl2N3O2/c22-18-5-7-20(8-6-18)24-21(27)26(16-17-3-1-4-19(23)15-17)10-2-9-25-11-13-28-14-12-25/h1,3-8,15H,2,9-14,16H2,(H,24,27)
InChIKeyCMLJQIIMZPBXHC-UHFFFAOYSA-N
MW422.36 g/mol
LogP4.75
Rot. Bonds7

About 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea

3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea (PubChem CID 5011395) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
PubChem CID5011395
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccc(Cl)c1
InChIInChI=1S/C21H25Cl2N3O2/c22-18-5-7-20(8-6-18)24-21(27)26(16-17-3-1-4-19(23)15-17)10-2-9-25-11-13-28-14-12-25/h1,3-8,15H,2,9-14,16H2,(H,24,27)
InChIKeyCMLJQIIMZPBXHC-UHFFFAOYSA-N
XLogP4.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 17042756
1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3249090
3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 4184098
1-[(3-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)thiourea
CID 3628977
3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701222
N-benzyl-2-[(4-chlorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5121551
N-[(3-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)morpholine-4-carboxamide
CID 1248220
3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
CID 17344296
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 42723877
3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 15995461
N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3575220
1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42701155

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea (CID 5011395) is 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea is O=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccc(Cl)c1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The InChIKey is CMLJQIIMZPBXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c22-18-5-7-20(8-6-18)24-21(27)26(16-17-3-1-4-19(23)15-17)10-2-9-25-11-13-28-14-12-25/h1,3-8,15H,2,9-14,16H2,(H,24,27).
What are the key properties of 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea has a molecular weight of 422.36 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 5011395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).