(Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide

C18H17ClN2O2 — CID 6513381

IUPAC(Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide
SMILESCC(=O)N/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H17ClN2O2/c1-13(22)21-17(11-14-7-9-16(19)10-8-14)18(23)20-12-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,20,23)(H,21,22)/b17-11-
InChIKeyPPVQCEIMJJAUJG-BOPFTXTBSA-N
MW328.80 g/mol
LogP3.13
Rot. Bonds5

About (Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide

(Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 6513381) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is (Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide
PubChem CID6513381
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name(Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide
SMILESCC(=O)N/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H17ClN2O2/c1-13(22)21-17(11-14-7-9-16(19)10-8-14)18(23)20-12-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,20,23)(H,21,22)/b17-11-
InChIKeyPPVQCEIMJJAUJG-BOPFTXTBSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide (CID 6513381) is (Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide is CC(=O)N/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccccc1.
What is the InChIKey of (Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is PPVQCEIMJJAUJG-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-13(22)21-17(11-14-7-9-16(19)10-8-14)18(23)20-12-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,20,23)(H,21,22)/b17-11-.
What are the key properties of (Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide?
(Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 328.80 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-benzyl-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 6513381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).