N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide

C12H14F4N2O2 — CID 107493447

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide
SMILESNCCN(CC(F)F)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H14F4N2O2/c13-10(14)7-18(5-4-17)11(19)8-2-1-3-9(6-8)20-12(15)16/h1-3,6,10,12H,4-5,7,17H2
InChIKeyHLMBADBOFVBSHP-UHFFFAOYSA-N
MW294.25 g/mol
LogP1.95
Rot. Bonds7

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide (PubChem CID 107493447) has the molecular formula C12H14F4N2O2 and a molecular weight of 294.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide
PubChem CID107493447
Molecular FormulaC12H14F4N2O2
Molecular Weight294.25 g/mol
Exact Mass294.10
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide
SMILESNCCN(CC(F)F)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H14F4N2O2/c13-10(14)7-18(5-4-17)11(19)8-2-1-3-9(6-8)20-12(15)16/h1-3,6,10,12H,4-5,7,17H2
InChIKeyHLMBADBOFVBSHP-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride
CID 120649019
N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide
CID 63395540
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide
CID 107491097
N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide
CID 107493245
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide
CID 107493394
3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833598
N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 63390814
N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493616
3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine
CID 76996884
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzamide
CID 107491591
N-(3-amino-2,2-difluoropropyl)-3-(difluoromethoxy)benzamide
CID 114383418

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide (CID 107493447) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide is NCCN(CC(F)F)C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide?
The InChIKey is HLMBADBOFVBSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O2/c13-10(14)7-18(5-4-17)11(19)8-2-1-3-9(6-8)20-12(15)16/h1-3,6,10,12H,4-5,7,17H2.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide has a molecular weight of 294.25 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 107493447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).