N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline

C13H10BrF2N — CID 79710160

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline
SMILESFc1cc(Br)cc(CNc2cccc(F)c2)c1
InChIInChI=1S/C13H10BrF2N/c14-10-4-9(5-12(16)6-10)8-17-13-3-1-2-11(15)7-13/h1-7,17H,8H2
InChIKeyLDMWNFDXJQFWOL-UHFFFAOYSA-N
MW298.13 g/mol
LogP4.34
Rot. Bonds3

About N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline

N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline (PubChem CID 79710160) has the molecular formula C13H10BrF2N and a molecular weight of 298.13 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline
PubChem CID79710160
Molecular FormulaC13H10BrF2N
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline
SMILESFc1cc(Br)cc(CNc2cccc(F)c2)c1
InChIInChI=1S/C13H10BrF2N/c14-10-4-9(5-12(16)6-10)8-17-13-3-1-2-11(15)7-13/h1-7,17H,8H2
InChIKeyLDMWNFDXJQFWOL-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-4-fluoroaniline
CID 104777545
4-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-3-chloroaniline
CID 107619978
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79669951
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79710387
3-bromo-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 115350222
N-[(3-bromo-5-fluorophenyl)methyl]-4-propylaniline
CID 79710238
1-N-[(3-bromo-5-fluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378231
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline
CID 105488137
N-[(3-fluorophenyl)methyl]-3-iodoaniline
CID 28879212
N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline
CID 79710755
N-[(3-bromo-5-fluorophenyl)methyl]-2,3,4-trifluoroaniline
CID 79710749
5-[(3-bromo-5-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 154840361

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline (CID 79710160) is N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline is Fc1cc(Br)cc(CNc2cccc(F)c2)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline?
The InChIKey is LDMWNFDXJQFWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2N/c14-10-4-9(5-12(16)6-10)8-17-13-3-1-2-11(15)7-13/h1-7,17H,8H2.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline?
N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline has a molecular weight of 298.13 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline is sourced from PubChem (CID 79710160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).