(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide

C14H15F2NO — CID 10922970

IUPAC(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)/C=C1\CCc2c(F)cc(F)cc21
InChIInChI=1S/C14H15F2NO/c1-8(2)17-14(18)5-9-3-4-11-12(9)6-10(15)7-13(11)16/h5-8H,3-4H2,1-2H3,(H,17,18)/b9-5+
InChIKeyNXJQHWRBWAXVLU-WEVVVXLNSA-N
MW251.28 g/mol
LogP2.82
Rot. Bonds2

About (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide

(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide (PubChem CID 10922970) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide
PubChem CID10922970
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)/C=C1\CCc2c(F)cc(F)cc21
InChIInChI=1S/C14H15F2NO/c1-8(2)17-14(18)5-9-3-4-11-12(9)6-10(15)7-13(11)16/h5-8H,3-4H2,1-2H3,(H,17,18)/b9-5+
InChIKeyNXJQHWRBWAXVLU-WEVVVXLNSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-Difluoroindan-1-ylidene)-acetamide, (E)-
CID 10176672
(E)-N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-3-(4-fluorophenyl)prop-2-enamide
CID 122181329
2,2,2-Trifluoro-N-(2-indan-1-yl-ethyl)-acetamide
CID 11097218
2,9-Dihydroindeno[2,1-c]pyridin-3-one
CID 44581823
(E)-N-cyclopropyl-3-(3-fluorophenyl)-2-butenamide
CID 10220070
(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 10857351
(2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide
CID 10868029
(2E)-2-(5,7-difluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10889139
(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide
CID 10889405
(2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10910773
(2E)-N-cyclopropyl-2-(7-methyl-2,3-dihydroinden-1-ylidene)acetamide
CID 10911290
(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N-(2-hydroxyethyl)acetamide
CID 10922480

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide?
The IUPAC name of (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide (CID 10922970) is (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide.
What is the SMILES notation for (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide?
The canonical SMILES for (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide is CC(C)NC(=O)/C=C1\CCc2c(F)cc(F)cc21.
What is the InChIKey of (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide?
The InChIKey is NXJQHWRBWAXVLU-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-8(2)17-14(18)5-9-3-4-11-12(9)6-10(15)7-13(11)16/h5-8H,3-4H2,1-2H3,(H,17,18)/b9-5+.
What are the key properties of (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide?
(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide has a molecular weight of 251.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide is sourced from PubChem (CID 10922970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).