3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline

C21H17Cl3FNO — CID 126119400

IUPAC3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
SMILESCc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C21H17Cl3FNO/c1-13-17(23)6-4-8-20(13)26-11-15-9-16(22)10-18(24)21(15)27-12-14-5-2-3-7-19(14)25/h2-10,26H,11-12H2,1H3
InChIKeyHWVVLHMWSJQSJI-UHFFFAOYSA-N
MW424.73 g/mol
LogP7.29
Rot. Bonds6

About 3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline

3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline (PubChem CID 126119400) has the molecular formula C21H17Cl3FNO and a molecular weight of 424.73 g/mol. Its IUPAC name is 3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
PubChem CID126119400
Molecular FormulaC21H17Cl3FNO
Molecular Weight424.73 g/mol
Exact Mass423.04
IUPAC Name3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
SMILESCc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C21H17Cl3FNO/c1-13-17(23)6-4-8-20(13)26-11-15-9-16(22)10-18(24)21(15)27-12-14-5-2-3-7-19(14)25/h2-10,26H,11-12H2,1H3
InChIKeyHWVVLHMWSJQSJI-UHFFFAOYSA-N
XLogP7.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.73
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126126336
3-chloro-N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118405
N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126126081
3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28543484
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-methylaniline
CID 126124733
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
CID 126117021
3-chloro-N-[[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-methylaniline
CID 126117260
3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide
CID 28572210
3-chloro-N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126128041
3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126123855
3-[[2-(2-amino-2-oxoethoxy)-3,5-dichlorophenyl]methylamino]-2-methylbenzoic acid
CID 17058253

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The IUPAC name of 3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline (CID 126119400) is 3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline.
What is the SMILES notation for 3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The canonical SMILES for 3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline is Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1F.
What is the InChIKey of 3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The InChIKey is HWVVLHMWSJQSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3FNO/c1-13-17(23)6-4-8-20(13)26-11-15-9-16(22)10-18(24)21(15)27-12-14-5-2-3-7-19(14)25/h2-10,26H,11-12H2,1H3.
What are the key properties of 3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline has a molecular weight of 424.73 g/mol, XLogP of 7.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline is sourced from PubChem (CID 126119400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).