2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide

C13H11Cl2NO3 — CID 43515928

IUPAC2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1C=O
InChIInChI=1S/C13H11Cl2NO3/c1-3-4-16-13(18)8(2)19-12-9(7-17)5-10(14)6-11(12)15/h1,5-8H,4H2,2H3,(H,16,18)
InChIKeyMEAJJNSFVDINNO-UHFFFAOYSA-N
MW300.14 g/mol
LogP2.32
Rot. Bonds5

About 2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide

2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide (PubChem CID 43515928) has the molecular formula C13H11Cl2NO3 and a molecular weight of 300.14 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide
PubChem CID43515928
Molecular FormulaC13H11Cl2NO3
Molecular Weight300.14 g/mol
Exact Mass299.01
IUPAC Name2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1C=O
InChIInChI=1S/C13H11Cl2NO3/c1-3-4-16-13(18)8(2)19-12-9(7-17)5-10(14)6-11(12)15/h1,5-8H,4H2,2H3,(H,16,18)
InChIKeyMEAJJNSFVDINNO-UHFFFAOYSA-N
XLogP2.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-ynylpropanamide
CID 107738224
2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide
CID 104665459
2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide
CID 43366462
2-[2-(aminomethyl)-6-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 112607862
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide
CID 60879224
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 112608703
N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide
CID 79502063
2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 104666760
2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515771
3-[3-chloro-4-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxyphenyl]prop-2-enoic acid
CID 76914643
3-chloro-4-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzoic acid
CID 61320366
3,5-dichloro-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43516100

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide (CID 43515928) is 2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1C=O.
What is the InChIKey of 2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide?
The InChIKey is MEAJJNSFVDINNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3/c1-3-4-16-13(18)8(2)19-12-9(7-17)5-10(14)6-11(12)15/h1,5-8H,4H2,2H3,(H,16,18).
What are the key properties of 2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide?
2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide has a molecular weight of 300.14 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 43515928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).