N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide

C17H16ClNO2 — CID 177379530

IUPACN-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO2/c1-3-17(20)19(15-8-6-14(18)7-9-15)12-13-4-10-16(21-2)11-5-13/h3-11H,1,12H2,2H3
InChIKeyBDOKWZDINASMAH-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.07
Rot. Bonds5

About N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide

N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide (PubChem CID 177379530) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
PubChem CID177379530
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO2/c1-3-17(20)19(15-8-6-14(18)7-9-15)12-13-4-10-16(21-2)11-5-13/h3-11H,1,12H2,2H3
InChIKeyBDOKWZDINASMAH-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.07
H-Bond Donors ≤ 50
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 N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide (CID 177379530) is N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide is C=CC(=O)N(Cc1ccc(OC)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The InChIKey is BDOKWZDINASMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-3-17(20)19(15-8-6-14(18)7-9-15)12-13-4-10-16(21-2)11-5-13/h3-11H,1,12H2,2H3.
What are the key properties of N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide has a molecular weight of 301.77 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 177379530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).