3-iodo-5-methoxy-4-prop-2-enoxybenzamide

C11H12INO3 — CID 27186888

IUPAC3-iodo-5-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1c(I)cc(C(N)=O)cc1OC
InChIInChI=1S/C11H12INO3/c1-3-4-16-10-8(12)5-7(11(13)14)6-9(10)15-2/h3,5-6H,1,4H2,2H3,(H2,13,14)
InChIKeyDDTLHTRRRKDUFV-UHFFFAOYSA-N
MW333.13 g/mol
LogP1.96
Rot. Bonds5

About 3-iodo-5-methoxy-4-prop-2-enoxybenzamide

3-iodo-5-methoxy-4-prop-2-enoxybenzamide (PubChem CID 27186888) has the molecular formula C11H12INO3 and a molecular weight of 333.13 g/mol. Its IUPAC name is 3-iodo-5-methoxy-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-iodo-5-methoxy-4-prop-2-enoxybenzamide
PubChem CID27186888
Molecular FormulaC11H12INO3
Molecular Weight333.13 g/mol
Exact Mass332.99
IUPAC Name3-iodo-5-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1c(I)cc(C(N)=O)cc1OC
InChIInChI=1S/C11H12INO3/c1-3-4-16-10-8(12)5-7(11(13)14)6-9(10)15-2/h3,5-6H,1,4H2,2H3,(H2,13,14)
InChIKeyDDTLHTRRRKDUFV-UHFFFAOYSA-N
XLogP1.96
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate
CID 53231025
3-ethoxy-5-iodo-4-prop-2-enoxybenzoate
CID 8707183
3-[2-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3559051
4-ethoxy-3,5-diiodobenzamide
CID 24834347
3-iodo-5-methoxy-2-prop-2-enoxybenzoic acid
CID 100583431
ethyl 2-cyano-3-(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)prop-2-enoate
CID 632976
4-ethoxy-N-[(E)-(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 126329471
3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoic acid
CID 68685212
4-butoxy-3,5-diiodobenzamide
CID 24834301
4-butoxy-3,5-dimethoxybenzamide
CID 3027029
3-iodo-5-methoxy-4-nitrobenzamide
CID 171011941
3-bromo-4,5-dimethoxybenzamide
CID 900808

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-methoxy-4-prop-2-enoxybenzamide?
The IUPAC name of 3-iodo-5-methoxy-4-prop-2-enoxybenzamide (CID 27186888) is 3-iodo-5-methoxy-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-iodo-5-methoxy-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-iodo-5-methoxy-4-prop-2-enoxybenzamide is C=CCOc1c(I)cc(C(N)=O)cc1OC.
What is the InChIKey of 3-iodo-5-methoxy-4-prop-2-enoxybenzamide?
The InChIKey is DDTLHTRRRKDUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO3/c1-3-4-16-10-8(12)5-7(11(13)14)6-9(10)15-2/h3,5-6H,1,4H2,2H3,(H2,13,14).
What are the key properties of 3-iodo-5-methoxy-4-prop-2-enoxybenzamide?
3-iodo-5-methoxy-4-prop-2-enoxybenzamide has a molecular weight of 333.13 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-methoxy-4-prop-2-enoxybenzamide is sourced from PubChem (CID 27186888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).