N-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide

C10H8Cl2N2O2 — CID 10999770

IUPACN-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide
SMILESC#CCOc1cc(NNC=O)c(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2O2/c1-2-3-16-10-5-9(14-13-6-15)7(11)4-8(10)12/h1,4-6,14H,3H2,(H,13,15)
InChIKeyJHYWDOPCORKJDH-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.08
Rot. Bonds5

About N-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide

N-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide (PubChem CID 10999770) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is N-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide.

Molecular Properties

Compound NameN-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide
PubChem CID10999770
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC NameN-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide
SMILESC#CCOc1cc(NNC=O)c(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2O2/c1-2-3-16-10-5-9(14-13-6-15)7(11)4-8(10)12/h1,4-6,14H,3H2,(H,13,15)
InChIKeyJHYWDOPCORKJDH-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide?
The IUPAC name of N-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide (CID 10999770) is N-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide.
What is the SMILES notation for N-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide?
The canonical SMILES for N-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide is C#CCOc1cc(NNC=O)c(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide?
The InChIKey is JHYWDOPCORKJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c1-2-3-16-10-5-9(14-13-6-15)7(11)4-8(10)12/h1,4-6,14H,3H2,(H,13,15).
What are the key properties of N-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide?
N-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide has a molecular weight of 259.09 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichloro-5-prop-2-ynoxyanilino)formamide is sourced from PubChem (CID 10999770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).