N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide

C19H20ClNO4 — CID 54785453

IUPACN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCc2cc(OC)c(OC)cc2Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-4-9-25-15-7-5-13(6-8-15)19(22)21-12-14-10-17(23-2)18(24-3)11-16(14)20/h4-8,10-11H,1,9,12H2,2-3H3,(H,21,22)
InChIKeyZWNOANJXROWYKF-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.85
Rot. Bonds8

About N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide (PubChem CID 54785453) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide
PubChem CID54785453
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCc2cc(OC)c(OC)cc2Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-4-9-25-15-7-5-13(6-8-15)19(22)21-12-14-10-17(23-2)18(24-3)11-16(14)20/h4-8,10-11H,1,9,12H2,2-3H3,(H,21,22)
InChIKeyZWNOANJXROWYKF-UHFFFAOYSA-N
XLogP3.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.85
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-[(2-chloro-4,5-dimethoxyphenyl)methylcarbamothioyl]-4-ethoxybenzamide
CID 54785803
N-[(2-chloro-4,5-dimethoxyphenyl)methylcarbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 54785753
N-[3-(3,4-dimethoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 48586947
2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide
CID 46461330
N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21367878
3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide
CID 55575895
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
4-tert-butyl-N-[(2-chloro-4,5-dimethoxyphenyl)methylcarbamothioyl]benzamide
CID 54785834
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide
CID 54785477
N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110783290
N,N'-bis[(2-chloro-4,5-dimethoxyphenyl)methyl]octanediamide
CID 54786049
3-methoxy-N-[2-(methylamino)ethyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119503473

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide (CID 54785453) is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCc2cc(OC)c(OC)cc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide?
The InChIKey is ZWNOANJXROWYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-4-9-25-15-7-5-13(6-8-15)19(22)21-12-14-10-17(23-2)18(24-3)11-16(14)20/h4-8,10-11H,1,9,12H2,2-3H3,(H,21,22).
What are the key properties of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide?
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide has a molecular weight of 361.83 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 54785453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).