N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide

C21H23F2N3O3 — CID 56510929

IUPACN-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H23F2N3O3/c1-4-26(13-14-5-7-15(8-6-14)21(29)25(2)3)19(27)12-24-20(28)17-10-9-16(22)11-18(17)23/h5-11H,4,12-13H2,1-3H3,(H,24,28)
InChIKeyFRCGMABDSWPDBB-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.45
Rot. Bonds7

About N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide

N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide (PubChem CID 56510929) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
PubChem CID56510929
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC NameN-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H23F2N3O3/c1-4-26(13-14-5-7-15(8-6-14)21(29)25(2)3)19(27)12-24-20(28)17-10-9-16(22)11-18(17)23/h5-11H,4,12-13H2,1-3H3,(H,24,28)
InChIKeyFRCGMABDSWPDBB-UHFFFAOYSA-N
XLogP2.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 46536513
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 78838061
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
CID 38107976
N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 29304745
N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 86796409
N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide
CID 115681928
2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51192378
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 29481344
2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51192745
N-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 24655942

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide (CID 56510929) is N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide?
The InChIKey is FRCGMABDSWPDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c1-4-26(13-14-5-7-15(8-6-14)21(29)25(2)3)19(27)12-24-20(28)17-10-9-16(22)11-18(17)23/h5-11H,4,12-13H2,1-3H3,(H,24,28).
What are the key properties of N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide?
N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide has a molecular weight of 403.43 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 56510929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).