3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea

C26H28BrN3O3 — CID 42697897

IUPAC3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
SMILESO=C(Nc1ccc(Br)cc1)N(CCN1CCOCC1)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H28BrN3O3/c27-22-9-11-23(12-10-22)28-26(31)30(14-13-29-15-17-32-18-16-29)20-21-5-4-8-25(19-21)33-24-6-2-1-3-7-24/h1-12,19H,13-18,20H2,(H,28,31)
InChIKeyUQWGQTFTHZSACU-UHFFFAOYSA-N
MW510.43 g/mol
LogP5.61
Rot. Bonds8

About 3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea

3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea (PubChem CID 42697897) has the molecular formula C26H28BrN3O3 and a molecular weight of 510.43 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
PubChem CID42697897
Molecular FormulaC26H28BrN3O3
Molecular Weight510.43 g/mol
Exact Mass509.13
IUPAC Name3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
SMILESO=C(Nc1ccc(Br)cc1)N(CCN1CCOCC1)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H28BrN3O3/c27-22-9-11-23(12-10-22)28-26(31)30(14-13-29-15-17-32-18-16-29)20-21-5-4-8-25(19-21)33-24-6-2-1-3-7-24/h1-12,19H,13-18,20H2,(H,28,31)
InChIKeyUQWGQTFTHZSACU-UHFFFAOYSA-N
XLogP5.61
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea with MolForge

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Related Compounds

3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701222
3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697904
3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697900
3-(2,3-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701220
N-(2-morpholin-4-ylethyl)-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 42697864
ethyl 4-[[3-morpholin-4-ylpropyl-[(3-phenylmethoxyphenyl)methyl]carbamoyl]amino]benzoate
CID 42705029
3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
CID 42705031
N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide
CID 42701309
1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3249090
1-(2-morpholin-4-ylethyl)-1-[(4-phenylmethoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 42698254
3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 5011395
3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea
CID 71655123

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea?
The IUPAC name of 3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea (CID 42697897) is 3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea.
What is the SMILES notation for 3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea?
The canonical SMILES for 3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea is O=C(Nc1ccc(Br)cc1)N(CCN1CCOCC1)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea?
The InChIKey is UQWGQTFTHZSACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrN3O3/c27-22-9-11-23(12-10-22)28-26(31)30(14-13-29-15-17-32-18-16-29)20-21-5-4-8-25(19-21)33-24-6-2-1-3-7-24/h1-12,19H,13-18,20H2,(H,28,31).
What are the key properties of 3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea?
3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea has a molecular weight of 510.43 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea is sourced from PubChem (CID 42697897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).