4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline

C13H9Cl3FN — CID 60789911

IUPAC4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline
SMILESFc1cc(Cl)ccc1NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl3FN/c14-9-1-2-13(12(17)6-9)18-7-8-3-10(15)5-11(16)4-8/h1-6,18H,7H2
InChIKeyWENBGRICOGYJKZ-UHFFFAOYSA-N
MW304.58 g/mol
LogP5.40
Rot. Bonds3

About 4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline

4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline (PubChem CID 60789911) has the molecular formula C13H9Cl3FN and a molecular weight of 304.58 g/mol. Its IUPAC name is 4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline
PubChem CID60789911
Molecular FormulaC13H9Cl3FN
Molecular Weight304.58 g/mol
Exact Mass302.98
IUPAC Name4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline
SMILESFc1cc(Cl)ccc1NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl3FN/c14-9-1-2-13(12(17)6-9)18-7-8-3-10(15)5-11(16)4-8/h1-6,18H,7H2
InChIKeyWENBGRICOGYJKZ-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.58
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline
CID 55026237
4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
CID 43229744
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline
CID 63452474
4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645041
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
4-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-2-iodoaniline
CID 107632533
N-[(3-bromo-4-chlorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 83236223
N-[(3,5-dichlorophenyl)methyl]-3-fluoro-2-methylaniline
CID 63454346
N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879315
4-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 43438420
2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402904

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline?
The IUPAC name of 4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline (CID 60789911) is 4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for 4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline?
The canonical SMILES for 4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline is Fc1cc(Cl)ccc1NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline?
The InChIKey is WENBGRICOGYJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3FN/c14-9-1-2-13(12(17)6-9)18-7-8-3-10(15)5-11(16)4-8/h1-6,18H,7H2.
What are the key properties of 4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline?
4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline has a molecular weight of 304.58 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 60789911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).