N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine

C15H10BrClFN3 — CID 106194292

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine
SMILESFc1ccc(Br)cc1CNc1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H10BrClFN3/c16-10-5-6-13(18)9(7-10)8-19-15-12-4-2-1-3-11(12)14(17)20-21-15/h1-7H,8H2,(H,19,21)
InChIKeyGNWLVNRTZSUWIB-UHFFFAOYSA-N
MW366.62 g/mol
LogP4.80
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine

N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine (PubChem CID 106194292) has the molecular formula C15H10BrClFN3 and a molecular weight of 366.62 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine
PubChem CID106194292
Molecular FormulaC15H10BrClFN3
Molecular Weight366.62 g/mol
Exact Mass364.97
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine
SMILESFc1ccc(Br)cc1CNc1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H10BrClFN3/c16-10-5-6-13(18)9(7-10)8-19-15-12-4-2-1-3-11(12)14(17)20-21-15/h1-7H,8H2,(H,19,21)
InChIKeyGNWLVNRTZSUWIB-UHFFFAOYSA-N
XLogP4.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.62
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine 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

N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine
CID 106194274
N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 106194284
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 60723090
4-chloro-N-ethylphthalazin-1-amine
CID 62140798
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
N-[(5-bromo-2-fluorophenyl)methyl]-3-(8-chloro-3-phenylcinnolin-4-yl)aniline
CID 11855350
6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271586
N-[(5-bromo-2-fluorophenyl)methyl]furo[3,2-c]pyridin-4-amine
CID 103702617
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine
CID 55193888
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline
CID 107598279

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine (CID 106194292) is N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine is Fc1ccc(Br)cc1CNc1nnc(Cl)c2ccccc12.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine?
The InChIKey is GNWLVNRTZSUWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN3/c16-10-5-6-13(18)9(7-10)8-19-15-12-4-2-1-3-11(12)14(17)20-21-15/h1-7H,8H2,(H,19,21).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine has a molecular weight of 366.62 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine is sourced from PubChem (CID 106194292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).