4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline

C14H9Cl3F3N — CID 43245776

IUPAC4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCc2cccc(Cl)c2Cl)ccc1Cl
InChIInChI=1S/C14H9Cl3F3N/c15-11-5-4-9(6-10(11)14(18,19)20)21-7-8-2-1-3-12(16)13(8)17/h1-6,21H,7H2
InChIKeyIISZVGUORXTVOQ-UHFFFAOYSA-N
MW354.59 g/mol
LogP6.28
Rot. Bonds3

About 4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline

4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline (PubChem CID 43245776) has the molecular formula C14H9Cl3F3N and a molecular weight of 354.59 g/mol. Its IUPAC name is 4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline
PubChem CID43245776
Molecular FormulaC14H9Cl3F3N
Molecular Weight354.59 g/mol
Exact Mass352.98
IUPAC Name4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCc2cccc(Cl)c2Cl)ccc1Cl
InChIInChI=1S/C14H9Cl3F3N/c15-11-5-4-9(6-10(11)14(18,19)20)21-7-8-2-1-3-12(16)13(8)17/h1-6,21H,7H2
InChIKeyIISZVGUORXTVOQ-UHFFFAOYSA-N
XLogP6.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.59
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-[[4-chloro-3-(trifluoromethyl)anilino]methyl]phenol
CID 115951042
4-chloro-N-[(2-ethylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 63423431
N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 114487520
4-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 114841520
4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]benzene-1,3-diol
CID 43245798
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 63423206
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-(trifluoromethyl)aniline
CID 43245814
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-1,3-benzodioxol-5-amine
CID 29031116
N-[(2-chlorophenyl)methyl]-4-nitro-3-(trifluoromethyl)aniline
CID 110823807
N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride
CID 47023748
N-[(2,3-dichlorophenyl)methyl]-3-ethynylaniline
CID 29053249
4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 66409588

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline (CID 43245776) is 4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline is FC(F)(F)c1cc(NCc2cccc(Cl)c2Cl)ccc1Cl.
What is the InChIKey of 4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline?
The InChIKey is IISZVGUORXTVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3F3N/c15-11-5-4-9(6-10(11)14(18,19)20)21-7-8-2-1-3-12(16)13(8)17/h1-6,21H,7H2.
What are the key properties of 4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline?
4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline has a molecular weight of 354.59 g/mol, XLogP of 6.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43245776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).