3,4-dichloro-N,N'-dipropylbenzenecarboximidamide

C13H18Cl2N2 — CID 13354820

IUPAC3,4-dichloro-N,N'-dipropylbenzenecarboximidamide
SMILESCCC/N=C(\NCCC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2/c1-3-7-16-13(17-8-4-2)10-5-6-11(14)12(15)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyMFHUYKNLCQWJJE-UHFFFAOYSA-N
MW273.21 g/mol
LogP4.15
Rot. Bonds5

About 3,4-dichloro-N,N'-dipropylbenzenecarboximidamide

3,4-dichloro-N,N'-dipropylbenzenecarboximidamide (PubChem CID 13354820) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 3,4-dichloro-N,N'-dipropylbenzenecarboximidamide.

Molecular Properties

Compound Name3,4-dichloro-N,N'-dipropylbenzenecarboximidamide
PubChem CID13354820
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name3,4-dichloro-N,N'-dipropylbenzenecarboximidamide
SMILESCCC/N=C(\NCCC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2/c1-3-7-16-13(17-8-4-2)10-5-6-11(14)12(15)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyMFHUYKNLCQWJJE-UHFFFAOYSA-N
XLogP4.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N,N'-dipropylbenzenecarboximidamide?
The IUPAC name of 3,4-dichloro-N,N'-dipropylbenzenecarboximidamide (CID 13354820) is 3,4-dichloro-N,N'-dipropylbenzenecarboximidamide.
What is the SMILES notation for 3,4-dichloro-N,N'-dipropylbenzenecarboximidamide?
The canonical SMILES for 3,4-dichloro-N,N'-dipropylbenzenecarboximidamide is CCC/N=C(\NCCC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N,N'-dipropylbenzenecarboximidamide?
The InChIKey is MFHUYKNLCQWJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-3-7-16-13(17-8-4-2)10-5-6-11(14)12(15)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3,4-dichloro-N,N'-dipropylbenzenecarboximidamide?
3,4-dichloro-N,N'-dipropylbenzenecarboximidamide has a molecular weight of 273.21 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N,N'-dipropylbenzenecarboximidamide is sourced from PubChem (CID 13354820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).