N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide

C19H20ClNO4 — CID 27256082

IUPACN-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C19H20ClNO4/c1-5-6-12-9-13(10-17(24-3)18(12)25-4)19(22)21-14-7-8-16(23-2)15(20)11-14/h5,7-11H,1,6H2,2-4H3,(H,21,22)
InChIKeyHQTXPORJEOKGBA-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.35
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide

N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide (PubChem CID 27256082) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
PubChem CID27256082
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C19H20ClNO4/c1-5-6-12-9-13(10-17(24-3)18(12)25-4)19(22)21-14-7-8-16(23-2)15(20)11-14/h5,7-11H,1,6H2,2-4H3,(H,21,22)
InChIKeyHQTXPORJEOKGBA-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 27009589
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 27896838
ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate
CID 92683570
N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31842136
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 17413361
N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31841522
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 42315505
N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide
CID 21367438
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119440133
methyl 3-[(3,4-dimethoxy-5-prop-2-enylbenzoyl)amino]thiophene-2-carboxylate
CID 43034629
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide (CID 27256082) is N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The InChIKey is HQTXPORJEOKGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-5-6-12-9-13(10-17(24-3)18(12)25-4)19(22)21-14-7-8-16(23-2)15(20)11-14/h5,7-11H,1,6H2,2-4H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide has a molecular weight of 361.83 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide is sourced from PubChem (CID 27256082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).