N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide

C17H15Cl2NO2 — CID 21367438

IUPACN-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2c(Cl)cccc2Cl)ccc1OC
InChIInChI=1S/C17H15Cl2NO2/c1-3-5-11-10-12(8-9-15(11)22-2)17(21)20-16-13(18)6-4-7-14(16)19/h3-4,6-10H,1,5H2,2H3,(H,20,21)
InChIKeyUOLSBSPYKMXXJE-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.98
Rot. Bonds5

About N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide

N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide (PubChem CID 21367438) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide
PubChem CID21367438
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC NameN-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2c(Cl)cccc2Cl)ccc1OC
InChIInChI=1S/C17H15Cl2NO2/c1-3-5-11-10-12(8-9-15(11)22-2)17(21)20-16-13(18)6-4-7-14(16)19/h3-4,6-10H,1,5H2,2H3,(H,20,21)
InChIKeyUOLSBSPYKMXXJE-UHFFFAOYSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide
CID 21173889
N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21367878
ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate
CID 92683570
N-(2-amino-6-chlorophenyl)-3,4-dimethoxybenzamide
CID 62084435
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 27256082
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21368139
N-(2,6-dichlorophenyl)-4-ethoxy-3-methylbenzamide
CID 30147579
N-(2,6-dichlorophenyl)-2,6-dimethoxybenzamide
CID 3653582
3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 960097
N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21173960
N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 92647071
N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283939

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide?
The IUPAC name of N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide (CID 21367438) is N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2c(Cl)cccc2Cl)ccc1OC.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide?
The InChIKey is UOLSBSPYKMXXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c1-3-5-11-10-12(8-9-15(11)22-2)17(21)20-16-13(18)6-4-7-14(16)19/h3-4,6-10H,1,5H2,2H3,(H,20,21).
What are the key properties of N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide?
N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide has a molecular weight of 336.22 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide is sourced from PubChem (CID 21367438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).