1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea

C21H26ClN3O2 — CID 3249090

IUPAC1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1ccccc1
InChIInChI=1S/C21H26ClN3O2/c22-19-7-9-20(10-8-19)23-21(26)25(17-18-5-2-1-3-6-18)12-4-11-24-13-15-27-16-14-24/h1-3,5-10H,4,11-17H2,(H,23,26)
InChIKeyVUZKXTJEYJJPHN-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.10
Rot. Bonds7

About 1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea

1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea (PubChem CID 3249090) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
PubChem CID3249090
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1ccccc1
InChIInChI=1S/C21H26ClN3O2/c22-19-7-9-20(10-8-19)23-21(26)25(17-18-5-2-1-3-6-18)12-4-11-24-13-15-27-16-14-24/h1-3,5-10H,4,11-17H2,(H,23,26)
InChIKeyVUZKXTJEYJJPHN-UHFFFAOYSA-N
XLogP4.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 5011395
N-benzyl-2-[(4-chlorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5121551
1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42701155
1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 17042756
N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3575220
3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 4184098
3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701222
N-(2-aminophenyl)-4-[[(4-aminophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]methyl]benzamide
CID 58000981
N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3256305
1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 42701502
1-[3-(4-benzylpiperidin-1-yl)propyl]-3-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]urea;2,2,2-trifluoroacetic acid
CID 22676663
3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
CID 17344296

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea (CID 3249090) is 1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea is O=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea?
The InChIKey is VUZKXTJEYJJPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c22-19-7-9-20(10-8-19)23-21(26)25(17-18-5-2-1-3-6-18)12-4-11-24-13-15-27-16-14-24/h1-3,5-10H,4,11-17H2,(H,23,26).
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea?
1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea has a molecular weight of 387.91 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 3249090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).