5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide

C23H30BrN5O3 — CID 4292194

IUPAC5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCN(C)c1ccc(NC(=O)Nc2ccccc2Br)cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C23H30BrN5O3/c1-28(2)21-9-8-17(26-23(31)27-20-7-4-3-6-19(20)24)16-18(21)22(30)25-10-5-11-29-12-14-32-15-13-29/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,25,30)(H2,26,27,31)
InChIKeyVCCUWYWNOOVFPR-UHFFFAOYSA-N
MW504.43 g/mol
LogP3.61
Rot. Bonds8

About 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide

5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 4292194) has the molecular formula C23H30BrN5O3 and a molecular weight of 504.43 g/mol. Its IUPAC name is 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID4292194
Molecular FormulaC23H30BrN5O3
Molecular Weight504.43 g/mol
Exact Mass503.15
IUPAC Name5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCN(C)c1ccc(NC(=O)Nc2ccccc2Br)cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C23H30BrN5O3/c1-28(2)21-9-8-17(26-23(31)27-20-7-4-3-6-19(20)24)16-18(21)22(30)25-10-5-11-29-12-14-32-15-13-29/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,25,30)(H2,26,27,31)
InChIKeyVCCUWYWNOOVFPR-UHFFFAOYSA-N
XLogP3.61
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.43
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42747851
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3907319
5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 42747855
5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 3538460
5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4265313
5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 5161419
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 3531074
5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4588294
2-(dimethylamino)-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 42747418
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide
CID 42747432
3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 106547752
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide (CID 4292194) is 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide is CN(C)c1ccc(NC(=O)Nc2ccccc2Br)cc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is VCCUWYWNOOVFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrN5O3/c1-28(2)21-9-8-17(26-23(31)27-20-7-4-3-6-19(20)24)16-18(21)22(30)25-10-5-11-29-12-14-32-15-13-29/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,25,30)(H2,26,27,31).
What are the key properties of 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide?
5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 504.43 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 4292194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).