N-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide

C24H20Cl3NO3 — CID 4189478

IUPACN-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C24H20Cl3NO3/c1-15-6-9-17(13-21(15)27)28-24(29)11-8-16-7-10-22(23(12-16)30-2)31-14-18-19(25)4-3-5-20(18)26/h3-13H,14H2,1-2H3,(H,28,29)
InChIKeyASESFPNZXLRDRL-UHFFFAOYSA-N
MW476.79 g/mol
LogP7.19
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide

N-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide (PubChem CID 4189478) has the molecular formula C24H20Cl3NO3 and a molecular weight of 476.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
PubChem CID4189478
Molecular FormulaC24H20Cl3NO3
Molecular Weight476.79 g/mol
Exact Mass475.05
IUPAC NameN-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C24H20Cl3NO3/c1-15-6-9-17(13-21(15)27)28-24(29)11-8-16-7-10-22(23(12-16)30-2)31-14-18-19(25)4-3-5-20(18)26/h3-13H,14H2,1-2H3,(H,28,29)
InChIKeyASESFPNZXLRDRL-UHFFFAOYSA-N
XLogP7.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.79
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 4132327
3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 4132325
(E)-3-(3-chloro-4-methylphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26695081
3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 4132324
pentyl 4-[[(E)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]benzoate
CID 19191864
(E)-N-(3-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 2371149
3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4518402
(E)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-prop-2-enylprop-2-enamide
CID 19191846
methyl 4-[[(E)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]butanoate
CID 102534653
(E)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 6005799
(E)-N-(3-chloro-4-methoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5449139
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19659943

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide (CID 4189478) is N-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide is COc1cc(C=CC(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
The InChIKey is ASESFPNZXLRDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3NO3/c1-15-6-9-17(13-21(15)27)28-24(29)11-8-16-7-10-22(23(12-16)30-2)31-14-18-19(25)4-3-5-20(18)26/h3-13H,14H2,1-2H3,(H,28,29).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
N-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide has a molecular weight of 476.79 g/mol, XLogP of 7.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 4189478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).