N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide

C17H18Cl2N2O3 — CID 173092637

IUPACN-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide
SMILESCCC(COc1cnc(Cl)c(Cl)c1)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C17H18Cl2N2O3/c1-3-12(10-24-14-8-15(18)16(19)20-9-14)21-17(22)11-5-4-6-13(7-11)23-2/h4-9,12H,3,10H2,1-2H3,(H,21,22)
InChIKeyLKMSGTIPAKCTBD-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.98
Rot. Bonds7

About N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide

N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide (PubChem CID 173092637) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide
PubChem CID173092637
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC NameN-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide
SMILESCCC(COc1cnc(Cl)c(Cl)c1)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C17H18Cl2N2O3/c1-3-12(10-24-14-8-15(18)16(19)20-9-14)21-17(22)11-5-4-6-13(7-11)23-2/h4-9,12H,3,10H2,1-2H3,(H,21,22)
InChIKeyLKMSGTIPAKCTBD-UHFFFAOYSA-N
XLogP3.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide
CID 173092504
N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide
CID 106183814
N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide
CID 74554915
3,4,5-trimethoxy-N-[(2S)-1-(3-methylphenoxy)butan-2-yl]benzamide
CID 96564662
N-pentan-3-yl-3-phenoxybenzamide
CID 2442055
N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
CID 103816421
methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate
CID 23821566
N-[(2R)-1-methoxybutan-2-yl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 25449037
3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide
CID 134048764
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide (CID 173092637) is N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide is CCC(COc1cnc(Cl)c(Cl)c1)NC(=O)c1cccc(OC)c1.
What is the InChIKey of N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide?
The InChIKey is LKMSGTIPAKCTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-3-12(10-24-14-8-15(18)16(19)20-9-14)21-17(22)11-5-4-6-13(7-11)23-2/h4-9,12H,3,10H2,1-2H3,(H,21,22).
What are the key properties of N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide?
N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide has a molecular weight of 369.25 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 173092637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).