5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline

C14H12ClF2NO — CID 102876267

IUPAC5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cc(Cl)ccc2F)c(F)c1
InChIInChI=1S/C14H12ClF2NO/c1-19-11-4-2-9(13(17)7-11)8-18-14-6-10(15)3-5-12(14)16/h2-7,18H,8H2,1H3
InChIKeyQBRJDDRGVLXXDX-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.24
Rot. Bonds4

About 5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline

5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline (PubChem CID 102876267) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
PubChem CID102876267
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cc(Cl)ccc2F)c(F)c1
InChIInChI=1S/C14H12ClF2NO/c1-19-11-4-2-9(13(17)7-11)8-18-14-6-10(15)3-5-12(14)16/h2-7,18H,8H2,1H3
InChIKeyQBRJDDRGVLXXDX-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline
CID 102876635
4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoroaniline
CID 43716456
2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 103478952
2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline
CID 103412830
2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline
CID 65315824
3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol
CID 114318245
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 104853998
N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline
CID 114841617
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile
CID 107804560
2-fluoro-5-methoxy-N-[(2-methyl-3-pyridinyl)methyl]aniline
CID 75482762
2-[(5-bromo-2-fluoroanilino)methyl]-4-methoxyphenol
CID 43555227

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline?
The IUPAC name of 5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline (CID 102876267) is 5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2cc(Cl)ccc2F)c(F)c1.
What is the InChIKey of 5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline?
The InChIKey is QBRJDDRGVLXXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-19-11-4-2-9(13(17)7-11)8-18-14-6-10(15)3-5-12(14)16/h2-7,18H,8H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline?
5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline has a molecular weight of 283.71 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 102876267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).