5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline

C15H14Cl2FNO — CID 114842110

IUPAC5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline
SMILESCCOc1ccc(Cl)cc1NCc1cc(Cl)ccc1F
InChIInChI=1S/C15H14Cl2FNO/c1-2-20-15-6-4-12(17)8-14(15)19-9-10-7-11(16)3-5-13(10)18/h3-8,19H,2,9H2,1H3
InChIKeyDXVDKPODZKWCRC-UHFFFAOYSA-N
MW314.19 g/mol
LogP5.14
Rot. Bonds5

About 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline

5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline (PubChem CID 114842110) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline
PubChem CID114842110
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline
SMILESCCOc1ccc(Cl)cc1NCc1cc(Cl)ccc1F
InChIInChI=1S/C15H14Cl2FNO/c1-2-20-15-6-4-12(17)8-14(15)19-9-10-7-11(16)3-5-13(10)18/h3-8,19H,2,9H2,1H3
InChIKeyDXVDKPODZKWCRC-UHFFFAOYSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.19
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline
CID 63450944
2-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865428
N-[(5-chloro-2-fluorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 115761993
3-[(5-chloro-2-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319929
5-chloro-2-ethoxy-N-[(3-fluorophenyl)methyl]aniline
CID 54865430
N-[(5-chloro-2-fluorophenyl)methyl]-4-ethoxyaniline
CID 114841290
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline
CID 106816634
5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-ethoxyaniline
CID 63450941
5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132956
3-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865545
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-ethoxyaniline
CID 60935607
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
CID 894349

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline?
The IUPAC name of 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline (CID 114842110) is 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline.
What is the SMILES notation for 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline?
The canonical SMILES for 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline is CCOc1ccc(Cl)cc1NCc1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline?
The InChIKey is DXVDKPODZKWCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-2-20-15-6-4-12(17)8-14(15)19-9-10-7-11(16)3-5-13(10)18/h3-8,19H,2,9H2,1H3.
What are the key properties of 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline?
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline has a molecular weight of 314.19 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline is sourced from PubChem (CID 114842110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).