N-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

C20H20Cl2F2N2O2 — CID 55331452

IUPACN-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
SMILESCC(NC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl2F2N2O2/c1-10(2)18(26-19(27)17-15(23)5-4-6-16(17)24)20(28)25-11(3)13-8-7-12(21)9-14(13)22/h4-11,18H,1-3H3,(H,25,28)(H,26,27)
InChIKeyKYMGRLZBSPJQSH-UHFFFAOYSA-N
MW429.29 g/mol
LogP4.90
Rot. Bonds6

About N-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

N-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide (PubChem CID 55331452) has the molecular formula C20H20Cl2F2N2O2 and a molecular weight of 429.29 g/mol. Its IUPAC name is N-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
PubChem CID55331452
Molecular FormulaC20H20Cl2F2N2O2
Molecular Weight429.29 g/mol
Exact Mass428.09
IUPAC NameN-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
SMILESCC(NC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl2F2N2O2/c1-10(2)18(26-19(27)17-15(23)5-4-6-16(17)24)20(28)25-11(3)13-8-7-12(21)9-14(13)22/h4-11,18H,1-3H3,(H,25,28)(H,26,27)
InChIKeyKYMGRLZBSPJQSH-UHFFFAOYSA-N
XLogP4.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.29
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide with MolForge

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Related Compounds

N-[(2S)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 8927833
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55335505
N-[(2S)-1-[(3-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 24537098
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenoxy)propanamide
CID 7501082
2,6-difluoro-N-[3-methyl-1-oxo-1-(pentan-3-ylamino)butan-2-yl]benzamide
CID 46561548
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515584
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9441430
N-[1-(dicyclopropylmethylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 86920575
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 7024146

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide (CID 55331452) is N-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide is CC(NC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The InChIKey is KYMGRLZBSPJQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2F2N2O2/c1-10(2)18(26-19(27)17-15(23)5-4-6-16(17)24)20(28)25-11(3)13-8-7-12(21)9-14(13)22/h4-11,18H,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
N-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide has a molecular weight of 429.29 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 55331452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).