4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline

C13H10Cl2FN — CID 43721513

IUPAC4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
SMILESFc1cc(NCc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C13H10Cl2FN/c14-10-3-1-2-9(6-10)8-17-11-4-5-12(15)13(16)7-11/h1-7,17H,8H2
InChIKeyPGCDQZOSYQPDRS-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.74
Rot. Bonds3

About 4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline

4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline (PubChem CID 43721513) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is 4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
PubChem CID43721513
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
SMILESFc1cc(NCc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C13H10Cl2FN/c14-10-3-1-2-9(6-10)8-17-11-4-5-12(15)13(16)7-11/h1-7,17H,8H2
InChIKeyPGCDQZOSYQPDRS-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 65436509
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
CID 81145480
4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline
CID 79979141
3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
4-[(4-chloro-3-fluoroanilino)methyl]benzene-1,2-diol
CID 43721424
N-[5-[(3-chlorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928498
4-[(3-chlorophenyl)methylamino]phenol
CID 18778399
N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 63454905
N-[(4-chloro-3-fluorophenyl)methyl]-3-(3-chloropropyl)aniline
CID 107887554
3-chloro-N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)aniline
CID 28555690
N-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)aniline
CID 107887420

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline?
The IUPAC name of 4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline (CID 43721513) is 4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline.
What is the SMILES notation for 4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline?
The canonical SMILES for 4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline is Fc1cc(NCc2cccc(Cl)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline?
The InChIKey is PGCDQZOSYQPDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-10-3-1-2-9(6-10)8-17-11-4-5-12(15)13(16)7-11/h1-7,17H,8H2.
What are the key properties of 4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline?
4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline has a molecular weight of 270.13 g/mol, XLogP of 4.74, 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-chlorophenyl)methyl]-3-fluoroaniline is sourced from PubChem (CID 43721513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).