N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide

C19H19F2N3O3 — CID 134051678

IUPACN-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
SMILESCNC(=O)C(NC(=O)CNC(=O)c1ccccc1C)c1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2N3O3/c1-11-5-3-4-6-13(11)18(26)23-10-16(25)24-17(19(27)22-2)12-7-8-14(20)15(21)9-12/h3-9,17H,10H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)
InChIKeyXPIHGWQEUFTAIT-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.61
Rot. Bonds6

About N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide

N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 134051678) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
PubChem CID134051678
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC NameN-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
SMILESCNC(=O)C(NC(=O)CNC(=O)c1ccccc1C)c1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2N3O3/c1-11-5-3-4-6-13(11)18(26)23-10-16(25)24-17(19(27)22-2)12-7-8-14(20)15(21)9-12/h3-9,17H,10H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)
InChIKeyXPIHGWQEUFTAIT-UHFFFAOYSA-N
XLogP1.61
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 134051673
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
4-butoxy-N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 55483855
N-[3-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55501871
2-chloro-N-[3-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 55483282
2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55501590
2-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55502195
2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 78834542
4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide
CID 78834572
4-tert-butyl-N-[3-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 55483213
4-chloro-N-[4-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-4-oxobutyl]benzamide
CID 55501712

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide (CID 134051678) is N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide is CNC(=O)C(NC(=O)CNC(=O)c1ccccc1C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is XPIHGWQEUFTAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-11-5-3-4-6-13(11)18(26)23-10-16(25)24-17(19(27)22-2)12-7-8-14(20)15(21)9-12/h3-9,17H,10H2,1-2H3,(H,22,27)(H,23,26)(H,24,25).
What are the key properties of N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide?
N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 375.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 134051678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).