N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide

C15H14Br2N2O — CID 114374315

IUPACN-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide
SMILESNCc1ccccc1CNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H14Br2N2O/c16-12-5-6-14(17)13(7-12)15(20)19-9-11-4-2-1-3-10(11)8-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyXUIIOIKEQVQFGC-UHFFFAOYSA-N
MW398.10 g/mol
LogP3.60
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide

N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide (PubChem CID 114374315) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide
PubChem CID114374315
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide
SMILESNCc1ccccc1CNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H14Br2N2O/c16-12-5-6-14(17)13(7-12)15(20)19-9-11-4-2-1-3-10(11)8-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyXUIIOIKEQVQFGC-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide
CID 62951377
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide
CID 107956077
5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
CID 64682347
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromothiophene-3-carboxamide
CID 103806244
5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 60739201
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide
CID 114372185
2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
CID 114372361
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide
CID 106862102
2,5-dibromo-N-(furan-2-ylmethyl)benzamide
CID 114369742
[2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073050

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide (CID 114374315) is N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide is NCc1ccccc1CNC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide?
The InChIKey is XUIIOIKEQVQFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c16-12-5-6-14(17)13(7-12)15(20)19-9-11-4-2-1-3-10(11)8-18/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide?
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide has a molecular weight of 398.10 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide is sourced from PubChem (CID 114374315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).