4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline

C14H12ClF2NO — CID 104791660

IUPAC4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(Cl)c(F)c2)c1F
InChIInChI=1S/C14H12ClF2NO/c1-19-13-4-2-3-9(14(13)17)8-18-10-5-6-11(15)12(16)7-10/h2-7,18H,8H2,1H3
InChIKeyDWCXVNVXHARCPI-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.24
Rot. Bonds4

About 4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline

4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline (PubChem CID 104791660) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
PubChem CID104791660
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(Cl)c(F)c2)c1F
InChIInChI=1S/C14H12ClF2NO/c1-19-13-4-2-3-9(14(13)17)8-18-10-5-6-11(15)12(16)7-10/h2-7,18H,8H2,1H3
InChIKeyDWCXVNVXHARCPI-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

3,4-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791484
4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline
CID 104791781
4-(chloromethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104794881
3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791512
2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104792036
4-chloro-2-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791665
2-chloro-6-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 112553741
N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylsulfanylaniline
CID 104791450
2,6-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791540
2-[(4-chloro-3-fluoroanilino)methyl]phenol
CID 4913246
N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 65315852
2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline
CID 104792082

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline (CID 104791660) is 4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline is COc1cccc(CNc2ccc(Cl)c(F)c2)c1F.
What is the InChIKey of 4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline?
The InChIKey is DWCXVNVXHARCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-19-13-4-2-3-9(14(13)17)8-18-10-5-6-11(15)12(16)7-10/h2-7,18H,8H2,1H3.
What are the key properties of 4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline?
4-chloro-3-fluoro-N-[(2-fluoro-3-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 4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 104791660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).