3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide

C18H18ClNO — CID 4630618

IUPAC3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide
SMILESCCN(C(=O)C=Cc1ccccc1Cl)c1ccccc1C
InChIInChI=1S/C18H18ClNO/c1-3-20(17-11-7-4-8-14(17)2)18(21)13-12-15-9-5-6-10-16(15)19/h4-13H,3H2,1-2H3
InChIKeyLZDDBWNGNGJKIH-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.71
Rot. Bonds4

About 3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide

3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide (PubChem CID 4630618) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide
PubChem CID4630618
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide
SMILESCCN(C(=O)C=Cc1ccccc1Cl)c1ccccc1C
InChIInChI=1S/C18H18ClNO/c1-3-20(17-11-7-4-8-14(17)2)18(21)13-12-15-9-5-6-10-16(15)19/h4-13H,3H2,1-2H3
InChIKeyLZDDBWNGNGJKIH-UHFFFAOYSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]-ethylamino]acetic acid
CID 54901044
(E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide
CID 17256732
3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide
CID 879645
(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide
CID 884483
(E)-3-(2-chlorophenyl)-N-pentan-2-ylprop-2-enamide
CID 6089494
2-[3-(2-chlorophenyl)prop-2-enoyl-methylamino]butanoic acid
CID 76930490
(Z)-4-(2-chlorophenyl)but-3-en-2-one
CID 23273586
2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide
CID 3338024
ethyl (E)-4-(2-chlorophenyl)-2-oxobut-3-enoate
CID 53386631
(E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 879942
(E)-3-(2-chlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 692554
3-(2-chlorophenyl)-N-(diethylcarbamothioyl)prop-2-enamide
CID 4508506

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide (CID 4630618) is 3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide is CCN(C(=O)C=Cc1ccccc1Cl)c1ccccc1C.
What is the InChIKey of 3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide?
The InChIKey is LZDDBWNGNGJKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-3-20(17-11-7-4-8-14(17)2)18(21)13-12-15-9-5-6-10-16(15)19/h4-13H,3H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide?
3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide has a molecular weight of 299.80 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 4630618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).