N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide

C12H13Cl2NO3 — CID 146107030

IUPACN-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide
SMILESC=CC(=O)NCC(O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2NO3/c1-2-11(17)15-6-8(16)7-18-10-5-3-4-9(13)12(10)14/h2-5,8,16H,1,6-7H2,(H,15,17)
InChIKeyCNMZUHDEJVHCBN-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.04
Rot. Bonds6

About N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide

N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide (PubChem CID 146107030) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide
PubChem CID146107030
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC NameN-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide
SMILESC=CC(=O)NCC(O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2NO3/c1-2-11(17)15-6-8(16)7-18-10-5-3-4-9(13)12(10)14/h2-5,8,16H,1,6-7H2,(H,15,17)
InChIKeyCNMZUHDEJVHCBN-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
CID 94199882
3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide
CID 119305092
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide
CID 119305104
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide
CID 71849299
2-[cyclopropyl(methyl)amino]-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]acetamide
CID 110911251
(2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 124591683
1-cyano-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]cyclobutane-1-carboxamide
CID 111434785
N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94797026
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
CID 76870753
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide
CID 120790022
N-tert-butyl-2-[[[[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]acetamide
CID 111385492

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide?
The IUPAC name of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide (CID 146107030) is N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide.
What is the SMILES notation for N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide?
The canonical SMILES for N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide is C=CC(=O)NCC(O)COc1cccc(Cl)c1Cl.
What is the InChIKey of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide?
The InChIKey is CNMZUHDEJVHCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c1-2-11(17)15-6-8(16)7-18-10-5-3-4-9(13)12(10)14/h2-5,8,16H,1,6-7H2,(H,15,17).
What are the key properties of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide?
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide has a molecular weight of 290.15 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide is sourced from PubChem (CID 146107030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).