3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide

C16H17Cl2N3O2 — CID 120613513

IUPAC3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
SMILESNc1ccccc1CCC(=O)NCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3O2/c17-12-9-13(18)16(21-10-12)23-8-7-20-15(22)6-5-11-3-1-2-4-14(11)19/h1-4,9-10H,5-8,19H2,(H,20,22)
InChIKeyFAVPVFOZHQHIIW-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.10
Rot. Bonds7

About 3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide

3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide (PubChem CID 120613513) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
PubChem CID120613513
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
SMILESNc1ccccc1CCC(=O)NCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3O2/c17-12-9-13(18)16(21-10-12)23-8-7-20-15(22)6-5-11-3-1-2-4-14(11)19/h1-4,9-10H,5-8,19H2,(H,20,22)
InChIKeyFAVPVFOZHQHIIW-UHFFFAOYSA-N
XLogP3.10
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-N-[6-(4-chlorophenoxy)hexyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76329162
N-[5-chloro-6-[(1S)-1-phenylethoxy]-3-pyridinyl]-2-pyridin-4-ylacetamide
CID 145960248
2-(4-chlorophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide
CID 71239178
2-(2,4-dichlorophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239193
(3-Chloro-4-fluorophenyl)-[4-[[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 132256812
(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)-2-hydroxyethyl]butanamide
CID 118727207
N-[5-chloro-6-[(1S)-1-phenylethoxy]-3-pyridinyl]acetamide
CID 145952483
(6S,12S)-6-[(2S)-butan-2-yl]-12-[(3-chlorophenyl)methyl]spiro[2-oxa-5,8,11,14,22-pentazabicyclo[16.4.0]docosa-1(18),19,21-triene-9,1'-cyclopentane]-7,10,13-trione
CID 134148332
N-[4-[4-[(3-chloro-5-propan-2-yloxy-2-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
CID 58369092
2-(4-chlorophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239312
2-(4-chlorophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-2-methylpropanamide
CID 71239445
3-(2,4-dichlorophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide
CID 71239526

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide (CID 120613513) is 3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide is Nc1ccccc1CCC(=O)NCCOc1ncc(Cl)cc1Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide?
The InChIKey is FAVPVFOZHQHIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c17-12-9-13(18)16(21-10-12)23-8-7-20-15(22)6-5-11-3-1-2-4-14(11)19/h1-4,9-10H,5-8,19H2,(H,20,22).
What are the key properties of 3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide?
3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide has a molecular weight of 354.24 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide is sourced from PubChem (CID 120613513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).