3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile

C15H11ClF2N2 — CID 133474656

IUPAC3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile
SMILESN#Cc1cccc(Cl)c1NCc1ccc(C(F)F)cc1
InChIInChI=1S/C15H11ClF2N2/c16-13-3-1-2-12(8-19)14(13)20-9-10-4-6-11(7-5-10)15(17)18/h1-7,15,20H,9H2
InChIKeyPBOIVRXNNHDBIR-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.76
Rot. Bonds4

About 3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile

3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile (PubChem CID 133474656) has the molecular formula C15H11ClF2N2 and a molecular weight of 292.72 g/mol. Its IUPAC name is 3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile.

Molecular Properties

Compound Name3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile
PubChem CID133474656
Molecular FormulaC15H11ClF2N2
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile
SMILESN#Cc1cccc(Cl)c1NCc1ccc(C(F)F)cc1
InChIInChI=1S/C15H11ClF2N2/c16-13-3-1-2-12(8-19)14(13)20-9-10-4-6-11(7-5-10)15(17)18/h1-7,15,20H,9H2
InChIKeyPBOIVRXNNHDBIR-UHFFFAOYSA-N
XLogP4.76
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[[4-(methylsulfonylmethyl)phenyl]methylamino]benzonitrile
CID 133319619
3-methyl-2-[(4-propan-2-ylphenyl)methylamino]benzonitrile
CID 107106759
3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline
CID 115523563
4-[(2-amino-6-chloroanilino)methyl]benzonitrile
CID 62267898
5-bromo-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile
CID 82702421
3-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 107106837
N-[3-[(2-chloro-6-cyanoanilino)methyl]phenyl]-2-methylbutanamide
CID 133317873
3-chloro-2-[(2-nitrophenyl)methylamino]benzonitrile
CID 133317807
4-[(2-chloro-6-nitroanilino)methyl]benzonitrile
CID 62084426
3-chloro-2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]benzonitrile
CID 133317369
2-amino-3-[(4-propan-2-ylphenyl)methylamino]benzonitrile
CID 104716595
2-[(3-chloro-4-methylphenyl)methylamino]-3-methoxybenzonitrile
CID 107466784

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile?
The IUPAC name of 3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile (CID 133474656) is 3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile.
What is the SMILES notation for 3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile?
The canonical SMILES for 3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile is N#Cc1cccc(Cl)c1NCc1ccc(C(F)F)cc1.
What is the InChIKey of 3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile?
The InChIKey is PBOIVRXNNHDBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2/c16-13-3-1-2-12(8-19)14(13)20-9-10-4-6-11(7-5-10)15(17)18/h1-7,15,20H,9H2.
What are the key properties of 3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile?
3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile has a molecular weight of 292.72 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile is sourced from PubChem (CID 133474656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).