4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide

C16H15Br2NO2 — CID 152822052

IUPAC4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide
SMILESCCOC(NC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15Br2NO2/c1-2-21-16(12-5-9-14(18)10-6-12)19-15(20)11-3-7-13(17)8-4-11/h3-10,16H,2H2,1H3,(H,19,20)
InChIKeySUCBKCSVWQPKAC-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.68
Rot. Bonds5

About 4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide

4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide (PubChem CID 152822052) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide
PubChem CID152822052
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide
SMILESCCOC(NC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15Br2NO2/c1-2-21-16(12-5-9-14(18)10-6-12)19-15(20)11-3-7-13(17)8-4-11/h3-10,16H,2H2,1H3,(H,19,20)
InChIKeySUCBKCSVWQPKAC-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide
CID 143316973
N-[ethoxy-(4-nitrophenyl)methyl]benzamide
CID 102584694
ethyl 2-[(4-bromobenzoyl)amino]propanoate
CID 19166830
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
4-bromo-N-(3-ethylpentan-2-yl)benzamide
CID 55260581
4-bromo-N-[[(4-bromobenzoyl)amino]-(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 4512108
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide
CID 43011620
4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide
CID 102850891
4-bromo-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40522020
ethyl 2-(4-bromophenyl)-2-ethoxyacetate
CID 12714669
methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide?
The IUPAC name of 4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide (CID 152822052) is 4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide?
The canonical SMILES for 4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide is CCOC(NC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide?
The InChIKey is SUCBKCSVWQPKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-2-21-16(12-5-9-14(18)10-6-12)19-15(20)11-3-7-13(17)8-4-11/h3-10,16H,2H2,1H3,(H,19,20).
What are the key properties of 4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide?
4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide has a molecular weight of 413.11 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide is sourced from PubChem (CID 152822052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).