N-[[2,6-bis(dimethylamino)phenyl]methylcarbamoyl]-2,6-difluorobenzamide

C19H22F2N4O2 — CID 2805433

IUPACN-[[2,6-bis(dimethylamino)phenyl]methylcarbamoyl]-2,6-difluorobenzamide
SMILESCN(C)c1cccc(N(C)C)c1CNC(=O)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C19H22F2N4O2/c1-24(2)15-9-6-10-16(25(3)4)12(15)11-22-19(27)23-18(26)17-13(20)7-5-8-14(17)21/h5-10H,11H2,1-4H3,(H2,22,23,26,27)
InChIKeyZHPFWHXNLALGNX-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.74
Rot. Bonds5

About N-[[2,6-bis(dimethylamino)phenyl]methylcarbamoyl]-2,6-difluorobenzamide

N-[[2,6-bis(dimethylamino)phenyl]methylcarbamoyl]-2,6-difluorobenzamide (PubChem CID 2805433) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[[2,6-bis(dimethylamino)phenyl]methylcarbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[2,6-bis(dimethylamino)phenyl]methylcarbamoyl]-2,6-difluorobenzamide
PubChem CID2805433
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC NameN-[[2,6-bis(dimethylamino)phenyl]methylcarbamoyl]-2,6-difluorobenzamide
SMILESCN(C)c1cccc(N(C)C)c1CNC(=O)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C19H22F2N4O2/c1-24(2)15-9-6-10-16(25(3)4)12(15)11-22-19(27)23-18(26)17-13(20)7-5-8-14(17)21/h5-10H,11H2,1-4H3,(H2,22,23,26,27)
InChIKeyZHPFWHXNLALGNX-UHFFFAOYSA-N
XLogP2.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2,6-bis(dimethylamino)phenyl]methylcarbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[2,6-bis(dimethylamino)phenyl]methylcarbamoyl]-2,6-difluorobenzamide (CID 2805433) is N-[[2,6-bis(dimethylamino)phenyl]methylcarbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[2,6-bis(dimethylamino)phenyl]methylcarbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[2,6-bis(dimethylamino)phenyl]methylcarbamoyl]-2,6-difluorobenzamide is CN(C)c1cccc(N(C)C)c1CNC(=O)NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-[[2,6-bis(dimethylamino)phenyl]methylcarbamoyl]-2,6-difluorobenzamide?
The InChIKey is ZHPFWHXNLALGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-24(2)15-9-6-10-16(25(3)4)12(15)11-22-19(27)23-18(26)17-13(20)7-5-8-14(17)21/h5-10H,11H2,1-4H3,(H2,22,23,26,27).
What are the key properties of N-[[2,6-bis(dimethylamino)phenyl]methylcarbamoyl]-2,6-difluorobenzamide?
N-[[2,6-bis(dimethylamino)phenyl]methylcarbamoyl]-2,6-difluorobenzamide has a molecular weight of 376.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,6-bis(dimethylamino)phenyl]methylcarbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 2805433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).