N-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide

C19H19BrN2O3 — CID 144741606

IUPACN-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide
SMILESO=Cc1ccc(CN(C(=O)N2CCOCC2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H19BrN2O3/c20-17-5-7-18(8-6-17)22(19(24)21-9-11-25-12-10-21)13-15-1-3-16(14-23)4-2-15/h1-8,14H,9-13H2
InChIKeyVUZHTFGHEJMCNS-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.72
Rot. Bonds4

About N-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide

N-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide (PubChem CID 144741606) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide
PubChem CID144741606
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC NameN-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide
SMILESO=Cc1ccc(CN(C(=O)N2CCOCC2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H19BrN2O3/c20-17-5-7-18(8-6-17)22(19(24)21-9-11-25-12-10-21)13-15-1-3-16(14-23)4-2-15/h1-8,14H,9-13H2
InChIKeyVUZHTFGHEJMCNS-UHFFFAOYSA-N
XLogP3.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 144741604
methyl 4-[[4-methylsulfanyl-N-(morpholine-4-carbonyl)anilino]methyl]benzoate
CID 140894821
N-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]morpholine-4-carboxamide
CID 86280925
(E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide
CID 46046494
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(4-ethylphenyl)morpholine-4-carboxamide
CID 160590742
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894353
methyl 4-[[4-fluoro-3-methyl-N-(morpholine-4-carbonyl)anilino]methyl]benzoate
CID 163940319
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide
CID 149142775
2-(4-bromophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712388
N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide
CID 115575680
N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide
CID 108959951
N-(3-chloro-4-fluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]morpholine-4-carboxamide;methyl 4-[[3-chloro-4-fluoro-N-(morpholine-4-carbonyl)anilino]methyl]benzoate
CID 175784597

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide (CID 144741606) is N-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide is O=Cc1ccc(CN(C(=O)N2CCOCC2)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide?
The InChIKey is VUZHTFGHEJMCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c20-17-5-7-18(8-6-17)22(19(24)21-9-11-25-12-10-21)13-15-1-3-16(14-23)4-2-15/h1-8,14H,9-13H2.
What are the key properties of N-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide?
N-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide has a molecular weight of 403.28 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 144741606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).