N-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide

C17H17Cl2NO3 — CID 100948475

IUPACN-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccccc1)C(=O)C(Cl)(Cl)C(O)c1ccco1
InChIInChI=1S/C17H17Cl2NO3/c1-2-10-20(12-13-7-4-3-5-8-13)16(22)17(18,19)15(21)14-9-6-11-23-14/h2-9,11,15,21H,1,10,12H2
InChIKeyYBKMOJZIFAJZIO-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.70
Rot. Bonds7

About N-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide

N-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide (PubChem CID 100948475) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is N-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide.

Molecular Properties

Compound NameN-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide
PubChem CID100948475
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC NameN-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccccc1)C(=O)C(Cl)(Cl)C(O)c1ccco1
InChIInChI=1S/C17H17Cl2NO3/c1-2-10-20(12-13-7-4-3-5-8-13)16(22)17(18,19)15(21)14-9-6-11-23-14/h2-9,11,15,21H,1,10,12H2
InChIKeyYBKMOJZIFAJZIO-UHFFFAOYSA-N
XLogP3.70
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2,2-dichloro-N-prop-2-enylacetamide
CID 10083827
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide
CID 71369406
N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide
CID 134893638
2,2,2-trichloro-1-(furan-2-yl)ethanol
CID 11356360
N-benzyl-N-prop-2-enylcarbamodithioate
CID 171600521
1-benzyl-3-phenyl-1-prop-2-enylurea
CID 34697540
(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
CID 790450
N-benzyl-5-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 111969853
N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide
CID 1159803
sodium N-benzyl-N-prop-2-enylcarbamodithioate
CID 118484135

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide?
The IUPAC name of N-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide (CID 100948475) is N-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide.
What is the SMILES notation for N-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide?
The canonical SMILES for N-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide is C=CCN(Cc1ccccc1)C(=O)C(Cl)(Cl)C(O)c1ccco1.
What is the InChIKey of N-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide?
The InChIKey is YBKMOJZIFAJZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-2-10-20(12-13-7-4-3-5-8-13)16(22)17(18,19)15(21)14-9-6-11-23-14/h2-9,11,15,21H,1,10,12H2.
What are the key properties of N-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide?
N-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide has a molecular weight of 354.23 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dichloro-3-(furan-2-yl)-3-hydroxy-N-prop-2-enylpropanamide is sourced from PubChem (CID 100948475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).