N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline

C20H16ClF2NO — CID 126202114

IUPACN-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ccc(OCc3ccccc3F)c(Cl)c2)cc1
InChIInChI=1S/C20H16ClF2NO/c21-18-11-14(12-24-17-8-6-16(22)7-9-17)5-10-20(18)25-13-15-3-1-2-4-19(15)23/h1-11,24H,12-13H2
InChIKeyRSZQBHDLERPTJY-UHFFFAOYSA-N
MW359.80 g/mol
LogP5.81
Rot. Bonds6

About N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline

N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline (PubChem CID 126202114) has the molecular formula C20H16ClF2NO and a molecular weight of 359.80 g/mol. Its IUPAC name is N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
PubChem CID126202114
Molecular FormulaC20H16ClF2NO
Molecular Weight359.80 g/mol
Exact Mass359.09
IUPAC NameN-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ccc(OCc3ccccc3F)c(Cl)c2)cc1
InChIInChI=1S/C20H16ClF2NO/c21-18-11-14(12-24-17-8-6-16(22)7-9-17)5-10-20(18)25-13-15-3-1-2-4-19(15)23/h1-11,24H,12-13H2
InChIKeyRSZQBHDLERPTJY-UHFFFAOYSA-N
XLogP5.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.80
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126119858
4-bromo-N-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126213328
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126123621
4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 3875368
4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 5201941
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126121410
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126141207
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126121688
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126126042
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718772
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17293162
N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline;hydrochloride
CID 163326279

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline?
The IUPAC name of N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline (CID 126202114) is N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline.
What is the SMILES notation for N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline?
The canonical SMILES for N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline is Fc1ccc(NCc2ccc(OCc3ccccc3F)c(Cl)c2)cc1.
What is the InChIKey of N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline?
The InChIKey is RSZQBHDLERPTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2NO/c21-18-11-14(12-24-17-8-6-16(22)7-9-17)5-10-20(18)25-13-15-3-1-2-4-19(15)23/h1-11,24H,12-13H2.
What are the key properties of N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline?
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline has a molecular weight of 359.80 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline is sourced from PubChem (CID 126202114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).