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

C20H16Cl2FNO — CID 3875368

IUPAC4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
SMILESFc1cccc(COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)c1
InChIInChI=1S/C20H16Cl2FNO/c21-16-5-7-18(8-6-16)24-12-14-4-9-20(19(22)11-14)25-13-15-2-1-3-17(23)10-15/h1-11,24H,12-13H2
InChIKeyVGMOYNAITVJECK-UHFFFAOYSA-N
MW376.26 g/mol
LogP6.32
Rot. Bonds6

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

4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline (PubChem CID 3875368) has the molecular formula C20H16Cl2FNO and a molecular weight of 376.26 g/mol. Its IUPAC name is 4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
PubChem CID3875368
Molecular FormulaC20H16Cl2FNO
Molecular Weight376.26 g/mol
Exact Mass375.06
IUPAC Name4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
SMILESFc1cccc(COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)c1
InChIInChI=1S/C20H16Cl2FNO/c21-16-5-7-18(8-6-16)24-12-14-4-9-20(19(22)11-14)25-13-15-2-1-3-17(23)10-15/h1-11,24H,12-13H2
InChIKeyVGMOYNAITVJECK-UHFFFAOYSA-N
XLogP6.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.26
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126126042
4-chloro-N-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]aniline
CID 3348285
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121126
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126121688
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 126183458
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126211661
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126125272
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126202114
3-chloro-N-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-methylaniline
CID 126115607
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126119858
3-chloro-4-(difluoromethoxy)-N-[(3-fluorophenyl)methyl]aniline
CID 28553815
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[(3-fluorophenyl)methoxy]aniline
CID 168584076

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of 4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline (CID 3875368) is 4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for 4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for 4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline is Fc1cccc(COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)c1.
What is the InChIKey of 4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is VGMOYNAITVJECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FNO/c21-16-5-7-18(8-6-16)24-12-14-4-9-20(19(22)11-14)25-13-15-2-1-3-17(23)10-15/h1-11,24H,12-13H2.
What are the key properties of 4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline?
4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 376.26 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 3875368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).