(E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide

C18H17Cl2NO2 — CID 78854693

IUPAC(E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H17Cl2NO2/c19-16-7-4-8-17(20)15(16)9-10-18(23)21(11-12-22)13-14-5-2-1-3-6-14/h1-10,22H,11-13H2/b10-9+
InChIKeyRXSOJPPUEMLOBT-MDZDMXLPSA-N
MW350.25 g/mol
LogP4.03
Rot. Bonds6

About (E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide

(E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 78854693) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is (E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID78854693
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC Name(E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H17Cl2NO2/c19-16-7-4-8-17(20)15(16)9-10-18(23)21(11-12-22)13-14-5-2-1-3-6-14/h1-10,22H,11-13H2/b10-9+
InChIKeyRXSOJPPUEMLOBT-MDZDMXLPSA-N
XLogP4.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-N-[2-[benzyl-[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]ethyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195946
(E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 78854558
(E)-3-(2-chloro-6-fluorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 107482944
(E)-N,N-dibutyl-3-(2,6-dichlorophenyl)prop-2-enamide
CID 6076120
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6026974
3-(2,6-dichlorophenyl)-N,N-dihexylprop-2-enamide
CID 4626458
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
(E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide
CID 11077226
N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide
CID 2920998
(E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 18830823
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (CID 78854693) is (E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide is O=C(/C=C/c1c(Cl)cccc1Cl)N(CCO)Cc1ccccc1.
What is the InChIKey of (E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is RXSOJPPUEMLOBT-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H17Cl2NO2/c19-16-7-4-8-17(20)15(16)9-10-18(23)21(11-12-22)13-14-5-2-1-3-6-14/h1-10,22H,11-13H2/b10-9+.
What are the key properties of (E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
(E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 350.25 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 78854693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).