(E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide

C18H17ClN2O2 — CID 51333626

IUPAC(E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H17ClN2O2/c1-13(22)21-17-8-5-14(6-9-17)7-10-18(23)20-12-15-3-2-4-16(19)11-15/h2-11H,12H2,1H3,(H,20,23)(H,21,22)/b10-7+
InChIKeyJZUOLVMLDPISFU-JXMROGBWSA-N
MW328.80 g/mol
LogP3.63
Rot. Bonds5

About (E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide (PubChem CID 51333626) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide
PubChem CID51333626
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name(E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H17ClN2O2/c1-13(22)21-17-8-5-14(6-9-17)7-10-18(23)20-12-15-3-2-4-16(19)11-15/h2-11H,12H2,1H3,(H,20,23)(H,21,22)/b10-7+
InChIKeyJZUOLVMLDPISFU-JXMROGBWSA-N
XLogP3.63
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 ≤ 53.63
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)-N-[(3-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2679732
3-(3,4-dichlorophenyl)-N-[[3-[[3-(3,4-dichlorophenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 3261410
(E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide
CID 39588594
3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]prop-2-enamide
CID 76990323
3-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 896013
(E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 7921016
(E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 39572660
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
(E)-3-(4-chlorophenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108934715
(E)-N-benzyl-3-(3,4-dichlorophenyl)prop-2-enamide
CID 898158
N-[(3-chlorophenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51163645
3-(4-methoxyphenyl)-N-[[3-[[3-(4-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 1011377

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide (CID 51333626) is (E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide is CC(=O)Nc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide?
The InChIKey is JZUOLVMLDPISFU-JXMROGBWSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-13(22)21-17-8-5-14(6-9-17)7-10-18(23)20-12-15-3-2-4-16(19)11-15/h2-11H,12H2,1H3,(H,20,23)(H,21,22)/b10-7+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide has a molecular weight of 328.80 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 51333626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).