2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide

C17H14Cl4N2O2 — CID 55350113

IUPAC2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCC(NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl4N2O2/c1-9(10-2-5-13(19)15(21)6-10)23-16(24)8-22-17(25)12-4-3-11(18)7-14(12)20/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24)
InChIKeyURQBNAAAYATRSD-UHFFFAOYSA-N
MW420.12 g/mol
LogP4.91
Rot. Bonds5

About 2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 55350113) has the molecular formula C17H14Cl4N2O2 and a molecular weight of 420.12 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID55350113
Molecular FormulaC17H14Cl4N2O2
Molecular Weight420.12 g/mol
Exact Mass417.98
IUPAC Name2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCC(NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl4N2O2/c1-9(10-2-5-13(19)15(21)6-10)23-16(24)8-22-17(25)12-4-3-11(18)7-14(12)20/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24)
InChIKeyURQBNAAAYATRSD-UHFFFAOYSA-N
XLogP4.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.12
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide
CID 51193025
2,4-dichloro-N-[2-[[2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 25435322
2,4-dichloro-N-[2-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 46415115
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9218518
2-chloro-N-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9164728
2,4-dichloro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 51164454
2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387806
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629
2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 46433559
2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772386
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide (CID 55350113) is 2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide is CC(NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is URQBNAAAYATRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl4N2O2/c1-9(10-2-5-13(19)15(21)6-10)23-16(24)8-22-17(25)12-4-3-11(18)7-14(12)20/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 420.12 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55350113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).