3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

C15H20ClNO4 — CID 115699665

IUPAC3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C15H20ClNO4/c1-10(2)9-21-6-5-17-15(18)11-7-12(16)14(20-4)13(8-11)19-3/h7-8H,1,5-6,9H2,2-4H3,(H,17,18)
InChIKeyZMXDMFISZNAHFK-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.68
Rot. Bonds8

About 3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (PubChem CID 115699665) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
PubChem CID115699665
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C15H20ClNO4/c1-10(2)9-21-6-5-17-15(18)11-7-12(16)14(20-4)13(8-11)19-3/h7-8H,1,5-6,9H2,2-4H3,(H,17,18)
InChIKeyZMXDMFISZNAHFK-UHFFFAOYSA-N
XLogP2.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699714
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
N-[2-(2-bromoethoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 114309219
3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide
CID 107318683
5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
CID 62032676
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676765
1-(3-chloro-4,5-dimethoxyphenyl)-2-propoxyethanone
CID 79567841
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224
3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395019

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (CID 115699665) is 3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is C=C(C)COCCNC(=O)c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The InChIKey is ZMXDMFISZNAHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-10(2)9-21-6-5-17-15(18)11-7-12(16)14(20-4)13(8-11)19-3/h7-8H,1,5-6,9H2,2-4H3,(H,17,18).
What are the key properties of 3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide has a molecular weight of 313.78 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is sourced from PubChem (CID 115699665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).