2,4-difluoro-N,N-dipropylbenzenecarboximidamide

C13H18F2N2 — CID 141399914

IUPAC2,4-difluoro-N,N-dipropylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(F)cc1F)N(CCC)CCC
InChIInChI=1S/C13H18F2N2/c1-3-7-17(8-4-2)13(16)11-6-5-10(14)9-12(11)15/h5-6,9,16H,3-4,7-8H2,1-2H3/b16-13-
InChIKeyKZSZAATZXBOBHY-SSZFMOIBSA-N
MW240.30 g/mol
LogP3.41
Rot. Bonds5

About 2,4-difluoro-N,N-dipropylbenzenecarboximidamide

2,4-difluoro-N,N-dipropylbenzenecarboximidamide (PubChem CID 141399914) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,4-difluoro-N,N-dipropylbenzenecarboximidamide.

Molecular Properties

Compound Name2,4-difluoro-N,N-dipropylbenzenecarboximidamide
PubChem CID141399914
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2,4-difluoro-N,N-dipropylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(F)cc1F)N(CCC)CCC
InChIInChI=1S/C13H18F2N2/c1-3-7-17(8-4-2)13(16)11-6-5-10(14)9-12(11)15/h5-6,9,16H,3-4,7-8H2,1-2H3/b16-13-
InChIKeyKZSZAATZXBOBHY-SSZFMOIBSA-N
XLogP3.41
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.41
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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Related Compounds

N,N-diethyl-5-fluoro-2-methylbenzenecarboximidamide
CID 63179121
N,N-diethyl-4-fluoro-2-methylbenzenecarboximidamide
CID 81278294
2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide
CID 107924400
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795408
N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide
CID 91717088
2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid
CID 107674770
N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 86796409
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N-ethyl-N-propylcarbamimidoyl)-2-fluorobenzamide;ethane
CID 142083292
N-(2-bromoethyl)-N-butyl-2,4-difluorobenzamide
CID 80662300
N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide
CID 80661130

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N,N-dipropylbenzenecarboximidamide?
The IUPAC name of 2,4-difluoro-N,N-dipropylbenzenecarboximidamide (CID 141399914) is 2,4-difluoro-N,N-dipropylbenzenecarboximidamide.
What is the SMILES notation for 2,4-difluoro-N,N-dipropylbenzenecarboximidamide?
The canonical SMILES for 2,4-difluoro-N,N-dipropylbenzenecarboximidamide is [H]/N=C(/c1ccc(F)cc1F)N(CCC)CCC.
What is the InChIKey of 2,4-difluoro-N,N-dipropylbenzenecarboximidamide?
The InChIKey is KZSZAATZXBOBHY-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-3-7-17(8-4-2)13(16)11-6-5-10(14)9-12(11)15/h5-6,9,16H,3-4,7-8H2,1-2H3/b16-13-.
What are the key properties of 2,4-difluoro-N,N-dipropylbenzenecarboximidamide?
2,4-difluoro-N,N-dipropylbenzenecarboximidamide has a molecular weight of 240.30 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N,N-dipropylbenzenecarboximidamide is sourced from PubChem (CID 141399914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).