N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C18H18ClNO4 — CID 716117

IUPACN-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C18H18ClNO4/c1-22-15-9-12(10-16(23-2)18(15)24-3)7-8-17(21)20-14-6-4-5-13(19)11-14/h4-11H,1-3H3,(H,20,21)
InChIKeyQATTZJJQRMJSAL-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.02
Rot. Bonds6

About N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 716117) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID716117
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC NameN-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C18H18ClNO4/c1-22-15-9-12(10-16(23-2)18(15)24-3)7-8-17(21)20-14-6-4-5-13(19)11-14/h4-11H,1-3H3,(H,20,21)
InChIKeyQATTZJJQRMJSAL-UHFFFAOYSA-N
XLogP4.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1320377
(E)-N-(3-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 90682051
3-phenyl-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359677
(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2665177
methyl 3-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzoate
CID 3338274
N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide
CID 67338697
(E)-N-(3-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 45376337
(E)-3-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359720
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
(E)-N-(3-ethynylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 51330036
(E)-3-(3-methoxyphenyl)-N-[3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359675
(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 807639

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 716117) is N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(C=CC(=O)Nc2cccc(Cl)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is QATTZJJQRMJSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-22-15-9-12(10-16(23-2)18(15)24-3)7-8-17(21)20-14-6-4-5-13(19)11-14/h4-11H,1-3H3,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 347.80 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 716117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).