(E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide

C18H17ClN2O2 — CID 54777513

IUPAC(E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCC(=O)Nc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C18H17ClN2O2/c1-12-3-9-16(11-17(12)20-13(2)22)21-18(23)10-6-14-4-7-15(19)8-5-14/h3-11H,1-2H3,(H,20,22)(H,21,23)/b10-6+
InChIKeyVOHNLMXSLZNVQV-UXBLZVDNSA-N
MW328.80 g/mol
LogP4.26
Rot. Bonds4

About (E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide

(E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 54777513) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is (E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID54777513
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name(E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCC(=O)Nc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C18H17ClN2O2/c1-12-3-9-16(11-17(12)20-13(2)22)21-18(23)10-6-14-4-7-15(19)8-5-14/h3-11H,1-2H3,(H,20,22)(H,21,23)/b10-6+
InChIKeyVOHNLMXSLZNVQV-UXBLZVDNSA-N
XLogP4.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.26
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-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 54777118
(E)-3-(4-chlorophenyl)-N-(3-iodo-4-methylphenyl)prop-2-enamide
CID 7925553
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
(E)-3-(3-amino-4-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 39433531
(E)-3-(4-chlorophenyl)-N-(4-iodo-3,5-dimethylphenyl)prop-2-enamide
CID 17274650
(E)-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]prop-2-enamide
CID 24659674
3-(4-tert-butylphenyl)-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 4161099
3-(4-chlorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 898455
(E)-N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195740
N-(3-acetamido-4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 103598616
(E)-N-(5-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8502365

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide (CID 54777513) is (E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide is CC(=O)Nc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1C.
What is the InChIKey of (E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is VOHNLMXSLZNVQV-UXBLZVDNSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-12-3-9-16(11-17(12)20-13(2)22)21-18(23)10-6-14-4-7-15(19)8-5-14/h3-11H,1-2H3,(H,20,22)(H,21,23)/b10-6+.
What are the key properties of (E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 328.80 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 54777513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).