5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline

C13H9BrClF2N — CID 43555320

IUPAC5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
SMILESFc1ccc(Br)cc1NCc1c(F)cccc1Cl
InChIInChI=1S/C13H9BrClF2N/c14-8-4-5-12(17)13(6-8)18-7-9-10(15)2-1-3-11(9)16/h1-6,18H,7H2
InChIKeyNVOWHSSRPYHAFX-UHFFFAOYSA-N
MW332.57 g/mol
LogP4.99
Rot. Bonds3

About 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline

5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline (PubChem CID 43555320) has the molecular formula C13H9BrClF2N and a molecular weight of 332.57 g/mol. Its IUPAC name is 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
PubChem CID43555320
Molecular FormulaC13H9BrClF2N
Molecular Weight332.57 g/mol
Exact Mass330.96
IUPAC Name5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
SMILESFc1ccc(Br)cc1NCc1c(F)cccc1Cl
InChIInChI=1S/C13H9BrClF2N/c14-8-4-5-12(17)13(6-8)18-7-9-10(15)2-1-3-11(9)16/h1-6,18H,7H2
InChIKeyNVOWHSSRPYHAFX-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.57
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-[(2-chloro-6-fluorophenyl)methylamino]benzonitrile
CID 82708487
N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 28879400
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 65316210
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine
CID 116783440
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol
CID 69010950
3-chloro-2-[(2,5-dibromoanilino)methyl]phenol
CID 113276502
2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 30051961
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline
CID 104815657
1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine
CID 55193888
N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline
CID 43243000
N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
CID 55820884
N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054634

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline?
The IUPAC name of 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline (CID 43555320) is 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline is Fc1ccc(Br)cc1NCc1c(F)cccc1Cl.
What is the InChIKey of 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline?
The InChIKey is NVOWHSSRPYHAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF2N/c14-8-4-5-12(17)13(6-8)18-7-9-10(15)2-1-3-11(9)16/h1-6,18H,7H2.
What are the key properties of 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline?
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline has a molecular weight of 332.57 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 43555320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).