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

C17H19Cl4N3O2 — CID 119858054

IUPAC2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O2.2ClH/c18-12-7-15(19)17(21-9-12)24-14-5-3-13(4-6-14)22-16(23)10-20-8-11-1-2-11;;/h3-7,9,11,20H,1-2,8,10H2,(H,22,23);2*1H
InChIKeyWPKPUXSLWNATAB-UHFFFAOYSA-N
MW439.17 g/mol
LogP4.96
Rot. Bonds7

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

2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride (PubChem CID 119858054) has the molecular formula C17H19Cl4N3O2 and a molecular weight of 439.17 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride
PubChem CID119858054
Molecular FormulaC17H19Cl4N3O2
Molecular Weight439.17 g/mol
Exact Mass437.02
IUPAC Name2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O2.2ClH/c18-12-7-15(19)17(21-9-12)24-14-5-3-13(4-6-14)22-16(23)10-20-8-11-1-2-11;;/h3-7,9,11,20H,1-2,8,10H2,(H,22,23);2*1H
InChIKeyWPKPUXSLWNATAB-UHFFFAOYSA-N
XLogP4.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.17
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethoxy)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide
CID 86996577
N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 78882748
N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119752578
N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-methylpropanamide
CID 86996582
2-(cyclopropylmethylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide;dihydrochloride
CID 119878541
2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60842452
2-(cyclopropylmethylamino)-N-(4-propoxyphenyl)acetamide
CID 55060300
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-(cyclopropylmethylamino)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119669315
N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 61248513
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide
CID 103813939

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride (CID 119858054) is 2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride is Cl.Cl.O=C(CNCC1CC1)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride?
The InChIKey is WPKPUXSLWNATAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2.2ClH/c18-12-7-15(19)17(21-9-12)24-14-5-3-13(4-6-14)22-16(23)10-20-8-11-1-2-11;;/h3-7,9,11,20H,1-2,8,10H2,(H,22,23);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride has a molecular weight of 439.17 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 119858054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).