4-amino-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,5-difluorobenzamide

C18H18F2N2O — CID 166309425

IUPAC4-amino-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,5-difluorobenzamide
SMILESNc1cc(F)c(C(=O)NCCC2CCc3ccccc32)cc1F
InChIInChI=1S/C18H18F2N2O/c19-15-10-17(21)16(20)9-14(15)18(23)22-8-7-12-6-5-11-3-1-2-4-13(11)12/h1-4,9-10,12H,5-8,21H2,(H,22,23)
InChIKeyZVJYNAPYGLYNIL-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.40
Rot. Bonds4

About 4-amino-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,5-difluorobenzamide

4-amino-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,5-difluorobenzamide (PubChem CID 166309425) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-amino-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,5-difluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,5-difluorobenzamide
PubChem CID166309425
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name4-amino-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,5-difluorobenzamide
SMILESNc1cc(F)c(C(=O)NCCC2CCc3ccccc32)cc1F
InChIInChI=1S/C18H18F2N2O/c19-15-10-17(21)16(20)9-14(15)18(23)22-8-7-12-6-5-11-3-1-2-4-13(11)12/h1-4,9-10,12H,5-8,21H2,(H,22,23)
InChIKeyZVJYNAPYGLYNIL-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-benzylbenzamide
CID 577832
LY 188544
CID 126157
N1-benzyl-4-(dimethylamino)-3,5-difluorobenzamide
CID 2804201
4-Amino-N-(1-methyl-2-phenyl-ethyl)-benzamide
CID 2845137
4-amino-N-cyclohexylbenzamide
CID 679480
4-amino-N-(2-phenylethyl)benzamide
CID 847754
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 2453286
2-phenyl-N-[4-(1-pyrrolidinylcarbonyl)phenyl]butanamide
CID 2971289
5-fluoro-N-[4-(3-methylbutylcarbamoyl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509646
N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide
CID 4134110
4-(diethylamino)-N-(3-fluorophenyl)benzamide
CID 690502
4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 977462

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,5-difluorobenzamide?
The IUPAC name of 4-amino-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,5-difluorobenzamide (CID 166309425) is 4-amino-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,5-difluorobenzamide.
What is the SMILES notation for 4-amino-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,5-difluorobenzamide?
The canonical SMILES for 4-amino-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,5-difluorobenzamide is Nc1cc(F)c(C(=O)NCCC2CCc3ccccc32)cc1F.
What is the InChIKey of 4-amino-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,5-difluorobenzamide?
The InChIKey is ZVJYNAPYGLYNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c19-15-10-17(21)16(20)9-14(15)18(23)22-8-7-12-6-5-11-3-1-2-4-13(11)12/h1-4,9-10,12H,5-8,21H2,(H,22,23).
What are the key properties of 4-amino-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,5-difluorobenzamide?
4-amino-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,5-difluorobenzamide has a molecular weight of 316.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,5-difluorobenzamide is sourced from PubChem (CID 166309425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).