N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide

C19H20Cl2N2O4 — CID 78882748

IUPACN-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESO=C(CCOCC1CCCO1)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O4/c20-13-10-17(21)19(22-11-13)27-15-5-3-14(4-6-15)23-18(24)7-9-25-12-16-2-1-8-26-16/h3-6,10-11,16H,1-2,7-9,12H2,(H,23,24)
InChIKeyONSIUMNATJSRTI-UHFFFAOYSA-N
MW411.29 g/mol
LogP4.70
Rot. Bonds8

About N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide

N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 78882748) has the molecular formula C19H20Cl2N2O4 and a molecular weight of 411.29 g/mol. Its IUPAC name is N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID78882748
Molecular FormulaC19H20Cl2N2O4
Molecular Weight411.29 g/mol
Exact Mass410.08
IUPAC NameN-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESO=C(CCOCC1CCCO1)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O4/c20-13-10-17(21)19(22-11-13)27-15-5-3-14(4-6-15)23-18(24)7-9-25-12-16-2-1-8-26-16/h3-6,10-11,16H,1-2,7-9,12H2,(H,23,24)
InChIKeyONSIUMNATJSRTI-UHFFFAOYSA-N
XLogP4.70
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55719612
2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide
CID 86996577
[(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 54271602
N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55718922
2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid
CID 119224790
2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride
CID 119858054
N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94025746
3-(oxolan-2-ylmethoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55753164
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55719039
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55754467
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
3-(oxolan-2-ylmethoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide
CID 55719245

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide (CID 78882748) is N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide is O=C(CCOCC1CCCO1)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is ONSIUMNATJSRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4/c20-13-10-17(21)19(22-11-13)27-15-5-3-14(4-6-15)23-18(24)7-9-25-12-16-2-1-8-26-16/h3-6,10-11,16H,1-2,7-9,12H2,(H,23,24).
What are the key properties of N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide?
N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 411.29 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 78882748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).