(E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide

C14H16ClNO2 — CID 43577307

IUPAC(E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)N(CCO)C1CC1
InChIInChI=1S/C14H16ClNO2/c15-12-3-1-2-11(10-12)4-7-14(18)16(8-9-17)13-5-6-13/h1-4,7,10,13,17H,5-6,8-9H2/b7-4+
InChIKeyJSASPHPWOLZJTK-QPJJXVBHSA-N
MW265.74 g/mol
LogP2.34
Rot. Bonds5

About (E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide

(E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 43577307) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID43577307
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name(E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)N(CCO)C1CC1
InChIInChI=1S/C14H16ClNO2/c15-12-3-1-2-11(10-12)4-7-14(18)16(8-9-17)13-5-6-13/h1-4,7,10,13,17H,5-6,8-9H2/b7-4+
InChIKeyJSASPHPWOLZJTK-QPJJXVBHSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.34
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-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43577305
(E)-3-(3-cyanophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)prop-2-enamide
CID 102684445
3-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-propylprop-2-enamide
CID 78789206
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43576965
(E)-N-cyclobutyl-3-(2,3-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 102684628
(E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 102684272
(E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide
CID 141226455
(E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide
CID 43577156
3-[cyclopropyl-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propanoic acid
CID 60845085
N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 76870677
(E)-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 60587560
(E)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-(4-methylcyclohexyl)prop-2-enamide
CID 19004625

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide (CID 43577307) is (E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1)N(CCO)C1CC1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is JSASPHPWOLZJTK-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-12-3-1-2-11(10-12)4-7-14(18)16(8-9-17)13-5-6-13/h1-4,7,10,13,17H,5-6,8-9H2/b7-4+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 265.74 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 43577307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).