2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide

C14H17ClN2O2 — CID 47112935

IUPAC2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-3-16-14(19)10(2)17-13(18)9-8-11-6-4-5-7-12(11)15/h4-10H,3H2,1-2H3,(H,16,19)(H,17,18)/b9-8+
InChIKeyXEJOKIQIWWXEQQ-CMDGGOBGSA-N
MW280.75 g/mol
LogP1.99
Rot. Bonds5

About 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide

2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide (PubChem CID 47112935) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide
PubChem CID47112935
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-3-16-14(19)10(2)17-13(18)9-8-11-6-4-5-7-12(11)15/h4-10H,3H2,1-2H3,(H,16,19)(H,17,18)/b9-8+
InChIKeyXEJOKIQIWWXEQQ-CMDGGOBGSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chlorophenyl)-N-pentan-2-ylprop-2-enamide
CID 6089494
(Z)-3-(2-chlorophenyl)-N-[(2R)-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 129441523
(E)-3-(2-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 9299921
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-[(2R)-6-methylheptan-2-yl]prop-2-enamide
CID 2289651
(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
(2R)-2-[3-(2,3-dichlorophenyl)prop-2-enoylamino]propanoic acid
CID 78972941
(E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 92680336
3-(2-chlorophenyl)-N-undecylprop-2-enamide
CID 3474839
3-(2-chlorophenyl)-N-(diethylcarbamothioyl)prop-2-enamide
CID 4508506

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide (CID 47112935) is 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)NC(=O)/C=C/c1ccccc1Cl.
What is the InChIKey of 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide?
The InChIKey is XEJOKIQIWWXEQQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-3-16-14(19)10(2)17-13(18)9-8-11-6-4-5-7-12(11)15/h4-10H,3H2,1-2H3,(H,16,19)(H,17,18)/b9-8+.
What are the key properties of 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide?
2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide has a molecular weight of 280.75 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 47112935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).