3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide

C19H20ClNO4 — CID 76884702

IUPAC3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
SMILESCOc1cc(OC)c(CNC(=O)C=Cc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C19H20ClNO4/c1-23-15-10-17(24-2)16(18(11-15)25-3)12-21-19(22)8-7-13-5-4-6-14(20)9-13/h4-11H,12H2,1-3H3,(H,21,22)
InChIKeyXGWZKSCSEGXIHS-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.70
Rot. Bonds7

About 3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide

3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide (PubChem CID 76884702) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
PubChem CID76884702
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
SMILESCOc1cc(OC)c(CNC(=O)C=Cc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C19H20ClNO4/c1-23-15-10-17(24-2)16(18(11-15)25-3)12-21-19(22)8-7-13-5-4-6-14(20)9-13/h4-11H,12H2,1-3H3,(H,21,22)
InChIKeyXGWZKSCSEGXIHS-UHFFFAOYSA-N
XLogP3.70
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.70
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

3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 4796977
(E)-N-[(3-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2679732
3-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 896013
(E)-3-(3-chlorophenyl)-N-[4-[4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]prop-2-enamide
CID 6167581
(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041
(E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide
CID 9476999
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
(E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 7921016
N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 55716988
(E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418514
(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
CID 115636575
3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 887196

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide (CID 76884702) is 3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide is COc1cc(OC)c(CNC(=O)C=Cc2cccc(Cl)c2)c(OC)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide?
The InChIKey is XGWZKSCSEGXIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-23-15-10-17(24-2)16(18(11-15)25-3)12-21-19(22)8-7-13-5-4-6-14(20)9-13/h4-11H,12H2,1-3H3,(H,21,22).
What are the key properties of 3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide?
3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide has a molecular weight of 361.83 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 76884702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).