2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide

C18H19Cl2N3O3 — CID 86964456

IUPAC2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide
SMILESCC(C)COc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C18H19Cl2N3O3/c1-11(2)10-26-17-6-4-13(8-21-17)23-16(24)9-22-18(25)14-5-3-12(19)7-15(14)20/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyDWQZMLRZAWQKCQ-UHFFFAOYSA-N
MW396.27 g/mol
LogP3.79
Rot. Bonds7

About 2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide (PubChem CID 86964456) has the molecular formula C18H19Cl2N3O3 and a molecular weight of 396.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide
PubChem CID86964456
Molecular FormulaC18H19Cl2N3O3
Molecular Weight396.27 g/mol
Exact Mass395.08
IUPAC Name2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide
SMILESCC(C)COc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C18H19Cl2N3O3/c1-11(2)10-26-17-6-4-13(8-21-17)23-16(24)9-22-18(25)14-5-3-12(19)7-15(14)20/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyDWQZMLRZAWQKCQ-UHFFFAOYSA-N
XLogP3.79
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 9413593
2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 7613187
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 24599976
2,4-dichloro-N-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]anilino]-2-oxoethyl]benzamide
CID 108765876
2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2457198
2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
CID 55959694
2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079524
2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387806
2,4-dichloro-N-[2-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 46415115
2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide
CID 2263896
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide (CID 86964456) is 2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide is CC(C)COc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of 2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide?
The InChIKey is DWQZMLRZAWQKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3/c1-11(2)10-26-17-6-4-13(8-21-17)23-16(24)9-22-18(25)14-5-3-12(19)7-15(14)20/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide has a molecular weight of 396.27 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 86964456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).