N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide

C14H12BrFN2O — CID 107948816

IUPACN-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
SMILESNc1ccccc1CNC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H12BrFN2O/c15-11-7-9(5-6-12(11)16)14(19)18-8-10-3-1-2-4-13(10)17/h1-7H,8,17H2,(H,18,19)
InChIKeyIBDABCWPRNADLW-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.10
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide

N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide (PubChem CID 107948816) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
PubChem CID107948816
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC NameN-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
SMILESNc1ccccc1CNC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H12BrFN2O/c15-11-7-9(5-6-12(11)16)14(19)18-8-10-3-1-2-4-13(10)17/h1-7H,8,17H2,(H,18,19)
InChIKeyIBDABCWPRNADLW-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107997588
3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666
4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide
CID 64681507
3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide
CID 103706738
N-(2-aminopropyl)-3-bromo-4-fluorobenzamide
CID 107956111
4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 113396747
4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 81307450
3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide
CID 61401723
N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 103110367
N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide
CID 103806531
N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide
CID 62849872
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide (CID 107948816) is N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide is Nc1ccccc1CNC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide?
The InChIKey is IBDABCWPRNADLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c15-11-7-9(5-6-12(11)16)14(19)18-8-10-3-1-2-4-13(10)17/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide?
N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide has a molecular weight of 323.17 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide is sourced from PubChem (CID 107948816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).