N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide

C10H18BrF2NO2 — CID 106131283

IUPACN-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(Br)CCCNC(=O)CCOCC(F)F
InChIInChI=1S/C10H18BrF2NO2/c1-8(11)3-2-5-14-10(15)4-6-16-7-9(12)13/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyBBJCAABAAPKJTL-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.34
Rot. Bonds9

About N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide

N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 106131283) has the molecular formula C10H18BrF2NO2 and a molecular weight of 302.16 g/mol. Its IUPAC name is N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID106131283
Molecular FormulaC10H18BrF2NO2
Molecular Weight302.16 g/mol
Exact Mass301.05
IUPAC NameN-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(Br)CCCNC(=O)CCOCC(F)F
InChIInChI=1S/C10H18BrF2NO2/c1-8(11)3-2-5-14-10(15)4-6-16-7-9(12)13/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyBBJCAABAAPKJTL-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.34
H-Bond Donors ≤ 51
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-(4-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106129994
6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid
CID 103205763
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103205484
N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 107320973
N-(4-bromopentyl)-4-methylpentanamide
CID 106131429
ethyl 4-[3-(2,2-difluoroethoxy)propanoylamino]butanoate
CID 103209827
N-(2-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212738
methyl 2-bromo-3-[3-(2,2-difluoroethoxy)propanoylamino]propanoate
CID 103492443
N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide
CID 103211869
3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide
CID 103211866
N-(4-bromopentyl)heptanamide
CID 106131403
3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 103525105

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide (CID 106131283) is N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide is CC(Br)CCCNC(=O)CCOCC(F)F.
What is the InChIKey of N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is BBJCAABAAPKJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrF2NO2/c1-8(11)3-2-5-14-10(15)4-6-16-7-9(12)13/h8-9H,2-7H2,1H3,(H,14,15).
What are the key properties of N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide?
N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 302.16 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 106131283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).