N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide

C12H19ClF3NO2 — CID 103212868

IUPACN-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)N(CCCCl)C1CCC1
InChIInChI=1S/C12H19ClF3NO2/c13-6-2-7-17(10-3-1-4-10)11(18)5-8-19-9-12(14,15)16/h10H,1-9H2
InChIKeyDSNBROZPLWPGKE-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.97
Rot. Bonds8

About N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide

N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103212868) has the molecular formula C12H19ClF3NO2 and a molecular weight of 301.74 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103212868
Molecular FormulaC12H19ClF3NO2
Molecular Weight301.74 g/mol
Exact Mass301.11
IUPAC NameN-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)N(CCCCl)C1CCC1
InChIInChI=1S/C12H19ClF3NO2/c13-6-2-7-17(10-3-1-4-10)11(18)5-8-19-9-12(14,15)16/h10H,1-9H2
InChIKeyDSNBROZPLWPGKE-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212140
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N-(3-chloropropyl)-N-cyclobutyl-2-ethoxyacetamide
CID 102871906
N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
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CID 103209610
N-(3-aminopropyl)-N-cyclopentyl-3-ethoxypropanamide
CID 62588970
N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide
CID 62688230
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)pentanamide
CID 102861187
N-(2-chloroethyl)-N,3-dicyclohexylpropanamide
CID 63391329
N-(3-aminopropyl)-N-cyclopropyl-3-ethoxypropanamide
CID 62588782
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106612458
N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212210

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 103212868) is N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)N(CCCCl)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is DSNBROZPLWPGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClF3NO2/c13-6-2-7-17(10-3-1-4-10)11(18)5-8-19-9-12(14,15)16/h10H,1-9H2.
What are the key properties of N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 301.74 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103212868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).