4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile

C15H10ClF3N2 — CID 29293314

IUPAC4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile
SMILESN#Cc1ccc(CNc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C15H10ClF3N2/c16-13-6-5-12(15(17,18)19)7-14(13)21-9-11-3-1-10(8-20)2-4-11/h1-7,21H,9H2
InChIKeyWVEZSFWMMHKFBG-UHFFFAOYSA-N
MW310.71 g/mol
LogP4.84
Rot. Bonds3

About 4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile

4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile (PubChem CID 29293314) has the molecular formula C15H10ClF3N2 and a molecular weight of 310.71 g/mol. Its IUPAC name is 4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile
PubChem CID29293314
Molecular FormulaC15H10ClF3N2
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile
SMILESN#Cc1ccc(CNc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C15H10ClF3N2/c16-13-6-5-12(15(17,18)19)7-14(13)21-9-11-3-1-10(8-20)2-4-11/h1-7,21H,9H2
InChIKeyWVEZSFWMMHKFBG-UHFFFAOYSA-N
XLogP4.84
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-bromo-2-chloroanilino)methyl]benzonitrile
CID 55130313
4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]benzonitrile
CID 43034901
4-[[3-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile
CID 116699139
2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-(trifluoromethyl)aniline
CID 63417776
4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile
CID 28843551
2-chloro-N-[(3-methylphenyl)methyl]-5-(trifluoromethyl)aniline
CID 28542855
2-(benzylamino)-4-(trifluoromethyl)benzonitrile
CID 155452882
4-[[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]methyl]benzonitrile
CID 43052609
[4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
CID 115969616
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)aniline
CID 28600255
5-[[2-chloro-5-(trifluoromethyl)anilino]methyl]furan-2-carboxylic acid
CID 63316809
N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 108998258

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile?
The IUPAC name of 4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile (CID 29293314) is 4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile?
The canonical SMILES for 4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile is N#Cc1ccc(CNc2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of 4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile?
The InChIKey is WVEZSFWMMHKFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2/c16-13-6-5-12(15(17,18)19)7-14(13)21-9-11-3-1-10(8-20)2-4-11/h1-7,21H,9H2.
What are the key properties of 4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile?
4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile has a molecular weight of 310.71 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile is sourced from PubChem (CID 29293314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).