3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

C14H17Cl2NO3 — CID 115699714

IUPAC3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO3/c1-9(2)8-20-5-4-17-14(18)10-6-11(15)13(19-3)12(16)7-10/h6-7H,1,4-5,8H2,2-3H3,(H,17,18)
InChIKeyXOACSEIRRSFGHC-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.32
Rot. Bonds7

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

3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (PubChem CID 115699714) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
PubChem CID115699714
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO3/c1-9(2)8-20-5-4-17-14(18)10-6-11(15)13(19-3)12(16)7-10/h6-7H,1,4-5,8H2,2-3H3,(H,17,18)
InChIKeyXOACSEIRRSFGHC-UHFFFAOYSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699665
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 134049590
3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107318553
2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699924
2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 106502213
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480
3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774
3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 114469581
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-5-methylsulfonylbenzamide
CID 114464857
N-[2-(2-bromoethoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 114309219

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (CID 115699714) is 3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is C=C(C)COCCNC(=O)c1cc(Cl)c(OC)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The InChIKey is XOACSEIRRSFGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-9(2)8-20-5-4-17-14(18)10-6-11(15)13(19-3)12(16)7-10/h6-7H,1,4-5,8H2,2-3H3,(H,17,18).
What are the key properties of 3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide has a molecular weight of 318.20 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is sourced from PubChem (CID 115699714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).