2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide

C16H16Br2N2O — CID 114374231

IUPAC2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide
SMILESCCNCc1cccc(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C16H16Br2N2O/c1-2-19-10-11-4-3-5-13(8-11)20-16(21)14-9-12(17)6-7-15(14)18/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyBGKDFLXVCIXFJW-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.57
Rot. Bonds5

About 2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide

2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide (PubChem CID 114374231) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is 2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide
PubChem CID114374231
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC Name2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide
SMILESCCNCc1cccc(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C16H16Br2N2O/c1-2-19-10-11-4-3-5-13(8-11)20-16(21)14-9-12(17)6-7-15(14)18/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyBGKDFLXVCIXFJW-UHFFFAOYSA-N
XLogP4.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide
CID 107983060
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82808670
4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601282
3-bromo-N-[3-(ethylaminomethyl)phenyl]-5-fluorobenzamide
CID 43601129
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
CID 114371284
2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
CID 1020120
4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 43639639
1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119438335
2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841390
N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide
CID 107732035

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide (CID 114374231) is 2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide is CCNCc1cccc(NC(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide?
The InChIKey is BGKDFLXVCIXFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-2-19-10-11-4-3-5-13(8-11)20-16(21)14-9-12(17)6-7-15(14)18/h3-9,19H,2,10H2,1H3,(H,20,21).
What are the key properties of 2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide?
2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide has a molecular weight of 412.13 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 114374231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).