3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide

C16H21Cl2NO2 — CID 76911154

IUPAC3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide
SMILESCCC(CC)N(CCO)C(=O)C=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H21Cl2NO2/c1-3-15(4-2)19(7-8-20)16(21)6-5-12-9-13(17)11-14(18)10-12/h5-6,9-11,15,20H,3-4,7-8H2,1-2H3
InChIKeyVAXWEXWMFHPRPF-UHFFFAOYSA-N
MW330.26 g/mol
LogP4.02
Rot. Bonds7

About 3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide

3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide (PubChem CID 76911154) has the molecular formula C16H21Cl2NO2 and a molecular weight of 330.26 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide
PubChem CID76911154
Molecular FormulaC16H21Cl2NO2
Molecular Weight330.26 g/mol
Exact Mass329.09
IUPAC Name3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide
SMILESCCC(CC)N(CCO)C(=O)C=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H21Cl2NO2/c1-3-15(4-2)19(7-8-20)16(21)6-5-12-9-13(17)11-14(18)10-12/h5-6,9-11,15,20H,3-4,7-8H2,1-2H3
InChIKeyVAXWEXWMFHPRPF-UHFFFAOYSA-N
XLogP4.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 54.02
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

4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide
CID 54994520
(E)-3-(3,5-dichlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]prop-2-enamide
CID 113351938
3-[3-(3,5-dichlorophenyl)prop-2-enoyl-ethylamino]-2-methylpropanoic acid
CID 76950177
methyl 2-[3-(3,5-dichlorophenyl)prop-2-enoyl-propylamino]acetate
CID 76912413
(1E,4E)-1,5-bis(3,5-dichlorophenyl)penta-1,4-dien-3-one
CID 67600792
1,5-bis(3,5-dichlorophenyl)penta-1,4-dien-3-one
CID 67600794
(E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide
CID 43573291
N-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide
CID 62367281
(E)-3-(3,5-dichlorophenyl)prop-2-enoic acid
CID 6442148
4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 82772197
(Z)-3-(3,5-dichlorophenyl)prop-2-enamide
CID 170876496
3-(3,5-dichlorophenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
CID 77015918

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide?
The IUPAC name of 3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide (CID 76911154) is 3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide is CCC(CC)N(CCO)C(=O)C=Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide?
The InChIKey is VAXWEXWMFHPRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO2/c1-3-15(4-2)19(7-8-20)16(21)6-5-12-9-13(17)11-14(18)10-12/h5-6,9-11,15,20H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide?
3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide has a molecular weight of 330.26 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide is sourced from PubChem (CID 76911154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).