2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile

C14H9ClF2N2 — CID 82012960

IUPAC2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H9ClF2N2/c15-12-3-1-9(5-13(12)17)8-19-14-4-2-11(16)6-10(14)7-18/h1-6,19H,8H2
InChIKeyLVTXGFVIIUMAKL-UHFFFAOYSA-N
MW278.69 g/mol
LogP4.10
Rot. Bonds3

About 2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile

2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile (PubChem CID 82012960) has the molecular formula C14H9ClF2N2 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile
PubChem CID82012960
Molecular FormulaC14H9ClF2N2
Molecular Weight278.69 g/mol
Exact Mass278.04
IUPAC Name2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H9ClF2N2/c15-12-3-1-9(5-13(12)17)8-19-14-4-2-11(16)6-10(14)7-18/h1-6,19H,8H2
InChIKeyLVTXGFVIIUMAKL-UHFFFAOYSA-N
XLogP4.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile
CID 103703300
5-fluoro-2-[(3,4,5-trifluorophenyl)methylamino]benzonitrile
CID 82014691
2-[[4-(2-aminoethyl)phenyl]methylamino]-5-fluorobenzonitrile
CID 63674991
2-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylamino]-5-fluorobenzonitrile
CID 133411353
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile
CID 79034163
2-[(3-aminophenyl)methylamino]-5-fluorobenzonitrile
CID 63674317
[4-[(2-cyano-4-fluoroanilino)methyl]phenyl]methanesulfonamide
CID 75374034
2-[(3-bromo-4-methoxyphenyl)methylamino]-5-fluorobenzonitrile
CID 79034247
2-[(3-chloro-4-fluorophenyl)methylamino]-5-nitrobenzonitrile
CID 62531728
4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile
CID 28843551
4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63420408
3-[(2-cyano-4-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 79034004

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile?
The IUPAC name of 2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile (CID 82012960) is 2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile is N#Cc1cc(F)ccc1NCc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile?
The InChIKey is LVTXGFVIIUMAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2/c15-12-3-1-9(5-13(12)17)8-19-14-4-2-11(16)6-10(14)7-18/h1-6,19H,8H2.
What are the key properties of 2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile?
2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile has a molecular weight of 278.69 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile is sourced from PubChem (CID 82012960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).