N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline

C20H15Cl3FNO — CID 126204543

IUPACN-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1
InChIInChI=1S/C20H15Cl3FNO/c21-15-3-1-13(2-4-15)12-26-20-18(22)9-14(10-19(20)23)11-25-17-7-5-16(24)6-8-17/h1-10,25H,11-12H2
InChIKeyCHPSHYYSZIHSKA-UHFFFAOYSA-N
MW410.70 g/mol
LogP6.98
Rot. Bonds6

About N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline

N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline (PubChem CID 126204543) has the molecular formula C20H15Cl3FNO and a molecular weight of 410.70 g/mol. Its IUPAC name is N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
PubChem CID126204543
Molecular FormulaC20H15Cl3FNO
Molecular Weight410.70 g/mol
Exact Mass409.02
IUPAC NameN-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1
InChIInChI=1S/C20H15Cl3FNO/c21-15-3-1-13(2-4-15)12-26-20-18(22)9-14(10-19(20)23)11-25-17-7-5-16(24)6-8-17/h1-10,25H,11-12H2
InChIKeyCHPSHYYSZIHSKA-UHFFFAOYSA-N
XLogP6.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.70
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126122230
4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline
CID 126183262
3-chloro-N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 4555271
[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 893259
3,4-dichloro-N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126203927
4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 3875368
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-methylaniline
CID 126116176
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 17208514
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126121101
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126121688
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-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline?
The IUPAC name of N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline (CID 126204543) is N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline.
What is the SMILES notation for N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline?
The canonical SMILES for N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline is Fc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1.
What is the InChIKey of N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline?
The InChIKey is CHPSHYYSZIHSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3FNO/c21-15-3-1-13(2-4-15)12-26-20-18(22)9-14(10-19(20)23)11-25-17-7-5-16(24)6-8-17/h1-10,25H,11-12H2.
What are the key properties of N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline?
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline has a molecular weight of 410.70 g/mol, XLogP of 6.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline is sourced from PubChem (CID 126204543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).