2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide

C17H16Cl2N2O3 — CID 86996577

IUPAC2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide
SMILESO=C(COCC1CC1)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O3/c18-12-7-15(19)17(20-8-12)24-14-5-3-13(4-6-14)21-16(22)10-23-9-11-1-2-11/h3-8,11H,1-2,9-10H2,(H,21,22)
InChIKeyKNPAIIPENHXLPN-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.55
Rot. Bonds7

About 2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide

2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide (PubChem CID 86996577) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide
PubChem CID86996577
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide
SMILESO=C(COCC1CC1)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O3/c18-12-7-15(19)17(20-8-12)24-14-5-3-13(4-6-14)21-16(22)10-23-9-11-1-2-11/h3-8,11H,1-2,9-10H2,(H,21,22)
InChIKeyKNPAIIPENHXLPN-UHFFFAOYSA-N
XLogP4.55
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide (CID 86996577) is 2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide is O=C(COCC1CC1)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide?
The InChIKey is KNPAIIPENHXLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c18-12-7-15(19)17(20-8-12)24-14-5-3-13(4-6-14)21-16(22)10-23-9-11-1-2-11/h3-8,11H,1-2,9-10H2,(H,21,22).
What are the key properties of 2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide?
2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide has a molecular weight of 367.23 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide is sourced from PubChem (CID 86996577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).