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

C14H12Cl2FNO — CID 43410815

IUPAC2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline
SMILESCOc1ccc(Cl)cc1CNc1ccc(F)cc1Cl
InChIInChI=1S/C14H12Cl2FNO/c1-19-14-5-2-10(15)6-9(14)8-18-13-4-3-11(17)7-12(13)16/h2-7,18H,8H2,1H3
InChIKeyINLNNFUQLKXEMW-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.75
Rot. Bonds4

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

2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline (PubChem CID 43410815) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline
PubChem CID43410815
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline
SMILESCOc1ccc(Cl)cc1CNc1ccc(F)cc1Cl
InChIInChI=1S/C14H12Cl2FNO/c1-19-14-5-2-10(15)6-9(14)8-18-13-4-3-11(17)7-12(13)16/h2-7,18H,8H2,1H3
InChIKeyINLNNFUQLKXEMW-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-iodoaniline
CID 63445893
4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410874
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 43410818
4-chloro-2-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791665
4-chloro-N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 43312549
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 29034748
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline
CID 43716521
4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 115124144
2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-4,5-dimethoxyaniline
CID 103944246
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
CID 82539005
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline
CID 43646669

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline?
The IUPAC name of 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline (CID 43410815) is 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline?
The canonical SMILES for 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline is COc1ccc(Cl)cc1CNc1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline?
The InChIKey is INLNNFUQLKXEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-19-14-5-2-10(15)6-9(14)8-18-13-4-3-11(17)7-12(13)16/h2-7,18H,8H2,1H3.
What are the key properties of 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline?
2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline has a molecular weight of 300.16 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 43410815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).