3-(2-chlorophenyl)-N-undecylprop-2-enamide

C20H30ClNO — CID 3474839

IUPAC3-(2-chlorophenyl)-N-undecylprop-2-enamide
SMILESCCCCCCCCCCCNC(=O)C=Cc1ccccc1Cl
InChIInChI=1S/C20H30ClNO/c1-2-3-4-5-6-7-8-9-12-17-22-20(23)16-15-18-13-10-11-14-19(18)21/h10-11,13-16H,2-9,12,17H2,1H3,(H,22,23)
InChIKeyHZJRHJZFINTESN-UHFFFAOYSA-N
MW335.92 g/mol
LogP6.00
Rot. Bonds12

About 3-(2-chlorophenyl)-N-undecylprop-2-enamide

3-(2-chlorophenyl)-N-undecylprop-2-enamide (PubChem CID 3474839) has the molecular formula C20H30ClNO and a molecular weight of 335.92 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-undecylprop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-undecylprop-2-enamide
PubChem CID3474839
Molecular FormulaC20H30ClNO
Molecular Weight335.92 g/mol
Exact Mass335.20
IUPAC Name3-(2-chlorophenyl)-N-undecylprop-2-enamide
SMILESCCCCCCCCCCCNC(=O)C=Cc1ccccc1Cl
InChIInChI=1S/C20H30ClNO/c1-2-3-4-5-6-7-8-9-12-17-22-20(23)16-15-18-13-10-11-14-19(18)21/h10-11,13-16H,2-9,12,17H2,1H3,(H,22,23)
InChIKeyHZJRHJZFINTESN-UHFFFAOYSA-N
XLogP6.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.92
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-nitrophenyl)-N-octylprop-2-enamide
CID 70513240
N-heptyl-3-(2-methoxyphenyl)prop-2-enamide
CID 3506378
3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 3702491
(E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 99996150
3-(2-chlorophenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2905028
3-(2-chlorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037719
(E)-3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide;hydrochloride
CID 19166685
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6258276
3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide
CID 131848081
(E)-3-(2-chlorophenyl)-N-[3-(4-fluorophenyl)propyl]prop-2-enamide
CID 50874871

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-undecylprop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-undecylprop-2-enamide (CID 3474839) is 3-(2-chlorophenyl)-N-undecylprop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-undecylprop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-undecylprop-2-enamide is CCCCCCCCCCCNC(=O)C=Cc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-undecylprop-2-enamide?
The InChIKey is HZJRHJZFINTESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClNO/c1-2-3-4-5-6-7-8-9-12-17-22-20(23)16-15-18-13-10-11-14-19(18)21/h10-11,13-16H,2-9,12,17H2,1H3,(H,22,23).
What are the key properties of 3-(2-chlorophenyl)-N-undecylprop-2-enamide?
3-(2-chlorophenyl)-N-undecylprop-2-enamide has a molecular weight of 335.92 g/mol, XLogP of 6.00, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-undecylprop-2-enamide is sourced from PubChem (CID 3474839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).