4-[(2-bromo-3-phenylphenyl)methoxy]-N-(3-morpholin-4-ylpropyl)benzamide

C27H29BrN2O3 — CID 162648904

IUPAC4-[(2-bromo-3-phenylphenyl)methoxy]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(OCc2cccc(-c3ccccc3)c2Br)cc1
InChIInChI=1S/C27H29BrN2O3/c28-26-23(8-4-9-25(26)21-6-2-1-3-7-21)20-33-24-12-10-22(11-13-24)27(31)29-14-5-15-30-16-18-32-19-17-30/h1-4,6-13H,5,14-20H2,(H,29,31)
InChIKeyQSCSYVXOANLUQT-UHFFFAOYSA-N
MW509.44 g/mol
LogP5.15
Rot. Bonds9

About 4-[(2-bromo-3-phenylphenyl)methoxy]-N-(3-morpholin-4-ylpropyl)benzamide

4-[(2-bromo-3-phenylphenyl)methoxy]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 162648904) has the molecular formula C27H29BrN2O3 and a molecular weight of 509.44 g/mol. Its IUPAC name is 4-[(2-bromo-3-phenylphenyl)methoxy]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[(2-bromo-3-phenylphenyl)methoxy]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID162648904
Molecular FormulaC27H29BrN2O3
Molecular Weight509.44 g/mol
Exact Mass508.14
IUPAC Name4-[(2-bromo-3-phenylphenyl)methoxy]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(OCc2cccc(-c3ccccc3)c2Br)cc1
InChIInChI=1S/C27H29BrN2O3/c28-26-23(8-4-9-25(26)21-6-2-1-3-7-21)20-33-24-12-10-22(11-13-24)27(31)29-14-5-15-30-16-18-32-19-17-30/h1-4,6-13H,5,14-20H2,(H,29,31)
InChIKeyQSCSYVXOANLUQT-UHFFFAOYSA-N
XLogP5.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-morpholin-4-ylpropyl)-4-phenylmethoxybenzamide
CID 17459626
4-phenylmethoxy-N-[12-[16-[12-[(4-phenylmethoxybenzoyl)amino]dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]dodecyl]benzamide
CID 102394555
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273397
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
N-(3-morpholin-4-ylpropyl)-4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 21109000
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 55628607
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 42691502

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-3-phenylphenyl)methoxy]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-[(2-bromo-3-phenylphenyl)methoxy]-N-(3-morpholin-4-ylpropyl)benzamide (CID 162648904) is 4-[(2-bromo-3-phenylphenyl)methoxy]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-[(2-bromo-3-phenylphenyl)methoxy]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-[(2-bromo-3-phenylphenyl)methoxy]-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1ccc(OCc2cccc(-c3ccccc3)c2Br)cc1.
What is the InChIKey of 4-[(2-bromo-3-phenylphenyl)methoxy]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is QSCSYVXOANLUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29BrN2O3/c28-26-23(8-4-9-25(26)21-6-2-1-3-7-21)20-33-24-12-10-22(11-13-24)27(31)29-14-5-15-30-16-18-32-19-17-30/h1-4,6-13H,5,14-20H2,(H,29,31).
What are the key properties of 4-[(2-bromo-3-phenylphenyl)methoxy]-N-(3-morpholin-4-ylpropyl)benzamide?
4-[(2-bromo-3-phenylphenyl)methoxy]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 509.44 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-3-phenylphenyl)methoxy]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 162648904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).