N,N'-dibutyl-2-fluoropropanediamide

C11H21FN2O2 — CID 141391063

IUPACN,N'-dibutyl-2-fluoropropanediamide
SMILESCCCCNC(=O)C(F)C(=O)NCCCC
InChIInChI=1S/C11H21FN2O2/c1-3-5-7-13-10(15)9(12)11(16)14-8-6-4-2/h9H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyZRJREUOJNQSQPD-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.16
Rot. Bonds8

About N,N'-dibutyl-2-fluoropropanediamide

N,N'-dibutyl-2-fluoropropanediamide (PubChem CID 141391063) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is N,N'-dibutyl-2-fluoropropanediamide.

Molecular Properties

Compound NameN,N'-dibutyl-2-fluoropropanediamide
PubChem CID141391063
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC NameN,N'-dibutyl-2-fluoropropanediamide
SMILESCCCCNC(=O)C(F)C(=O)NCCCC
InChIInChI=1S/C11H21FN2O2/c1-3-5-7-13-10(15)9(12)11(16)14-8-6-4-2/h9H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyZRJREUOJNQSQPD-UHFFFAOYSA-N
XLogP1.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748453
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
N-butyl-2-silylpropanamide
CID 123860399
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
(2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide
CID 10667035
butylcarbamic acid
CID 3026651
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
N-butylcarbamoyl chloride
CID 14251115
butylcarbamic acid;zinc
CID 141049802
N-butyl-1-phosphanylformamide
CID 89204579

Frequently Asked Questions

What is the IUPAC name of N,N'-dibutyl-2-fluoropropanediamide?
The IUPAC name of N,N'-dibutyl-2-fluoropropanediamide (CID 141391063) is N,N'-dibutyl-2-fluoropropanediamide.
What is the SMILES notation for N,N'-dibutyl-2-fluoropropanediamide?
The canonical SMILES for N,N'-dibutyl-2-fluoropropanediamide is CCCCNC(=O)C(F)C(=O)NCCCC.
What is the InChIKey of N,N'-dibutyl-2-fluoropropanediamide?
The InChIKey is ZRJREUOJNQSQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-3-5-7-13-10(15)9(12)11(16)14-8-6-4-2/h9H,3-8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N,N'-dibutyl-2-fluoropropanediamide?
N,N'-dibutyl-2-fluoropropanediamide has a molecular weight of 232.30 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutyl-2-fluoropropanediamide is sourced from PubChem (CID 141391063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).