N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-methylidene-1H-isoindole-1-carboxamide

C19H16ClF3N2O — CID 59448823

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-methylidene-1H-isoindole-1-carboxamide
SMILESC=C1c2ccccc2C(C(=O)NCc2cccc(C(F)(F)F)c2Cl)N1C
InChIInChI=1S/C19H16ClF3N2O/c1-11-13-7-3-4-8-14(13)17(25(11)2)18(26)24-10-12-6-5-9-15(16(12)20)19(21,22)23/h3-9,17H,1,10H2,2H3,(H,24,26)
InChIKeyVKUHQCCUCWWYTD-UHFFFAOYSA-N
MW380.80 g/mol
LogP4.63
Rot. Bonds3

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-methylidene-1H-isoindole-1-carboxamide

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-methylidene-1H-isoindole-1-carboxamide (PubChem CID 59448823) has the molecular formula C19H16ClF3N2O and a molecular weight of 380.80 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-methylidene-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-methylidene-1H-isoindole-1-carboxamide
PubChem CID59448823
Molecular FormulaC19H16ClF3N2O
Molecular Weight380.80 g/mol
Exact Mass380.09
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-methylidene-1H-isoindole-1-carboxamide
SMILESC=C1c2ccccc2C(C(=O)NCc2cccc(C(F)(F)F)c2Cl)N1C
InChIInChI=1S/C19H16ClF3N2O/c1-11-13-7-3-4-8-14(13)17(25(11)2)18(26)24-10-12-6-5-9-15(16(12)20)19(21,22)23/h3-9,17H,1,10H2,2H3,(H,24,26)
InChIKeyVKUHQCCUCWWYTD-UHFFFAOYSA-N
XLogP4.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-methylidene-1H-isoindole-1-carboxamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-methylidene-1H-isoindole-1-carboxamide (CID 59448823) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-methylidene-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-methylidene-1H-isoindole-1-carboxamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-methylidene-1H-isoindole-1-carboxamide is C=C1c2ccccc2C(C(=O)NCc2cccc(C(F)(F)F)c2Cl)N1C.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-methylidene-1H-isoindole-1-carboxamide?
The InChIKey is VKUHQCCUCWWYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O/c1-11-13-7-3-4-8-14(13)17(25(11)2)18(26)24-10-12-6-5-9-15(16(12)20)19(21,22)23/h3-9,17H,1,10H2,2H3,(H,24,26).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-methylidene-1H-isoindole-1-carboxamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-methylidene-1H-isoindole-1-carboxamide has a molecular weight of 380.80 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-3-methylidene-1H-isoindole-1-carboxamide is sourced from PubChem (CID 59448823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).