4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide

C16H17BrN2O2 — CID 112980909

IUPAC4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide
SMILESCOCCNc1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-21-11-10-18-14-6-8-15(9-7-14)19-16(20)12-2-4-13(17)5-3-12/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyYFCMYVUAFOUTCH-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.76
Rot. Bonds6

About 4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide

4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide (PubChem CID 112980909) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide
PubChem CID112980909
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide
SMILESCOCCNc1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-21-11-10-18-14-6-8-15(9-7-14)19-16(20)12-2-4-13(17)5-3-12/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyYFCMYVUAFOUTCH-UHFFFAOYSA-N
XLogP3.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981040
N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide
CID 112980946
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981031
2-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66962973
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]benzamide
CID 104561439
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide (CID 112980909) is 4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide is COCCNc1ccc(NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide?
The InChIKey is YFCMYVUAFOUTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-21-11-10-18-14-6-8-15(9-7-14)19-16(20)12-2-4-13(17)5-3-12/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide?
4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide has a molecular weight of 349.23 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide is sourced from PubChem (CID 112980909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).