(2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide

C14H13F2NO — CID 10966884

IUPAC(2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESO=C(/C=C1\CCc2c1ccc(F)c2F)NC1CC1
InChIInChI=1S/C14H13F2NO/c15-12-6-5-10-8(1-4-11(10)14(12)16)7-13(18)17-9-2-3-9/h5-7,9H,1-4H2,(H,17,18)/b8-7+
InChIKeyDPCWSIOJVDVODE-BQYQJAHWSA-N
MW249.26 g/mol
LogP2.57
Rot. Bonds2

About (2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide

(2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide (PubChem CID 10966884) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is (2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide
PubChem CID10966884
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name(2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESO=C(/C=C1\CCc2c1ccc(F)c2F)NC1CC1
InChIInChI=1S/C14H13F2NO/c15-12-6-5-10-8(1-4-11(10)14(12)16)7-13(18)17-9-2-3-9/h5-7,9H,1-4H2,(H,17,18)/b8-7+
InChIKeyDPCWSIOJVDVODE-BQYQJAHWSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.57
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

Cinflumide
CID 6434871
(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
Cinnamamide, N-cyclopropyl-m-(trifluoromethyl)-, (E)-
CID 6434872
Cinnamamide, N-cyclopropyl-alpha,beta-dimethyl-4-fluoro-, (E)-
CID 3033173
Cinnamamide, N-cyclopropyl-alpha,beta-dimethyl-4-fluoro-, (Z)-
CID 3033185
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)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone
CID 10868128
(2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10910773

Frequently Asked Questions

What is the IUPAC name of (2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
The IUPAC name of (2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide (CID 10966884) is (2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide.
What is the SMILES notation for (2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
The canonical SMILES for (2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide is O=C(/C=C1\CCc2c1ccc(F)c2F)NC1CC1.
What is the InChIKey of (2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
The InChIKey is DPCWSIOJVDVODE-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-12-6-5-10-8(1-4-11(10)14(12)16)7-13(18)17-9-2-3-9/h5-7,9H,1-4H2,(H,17,18)/b8-7+.
What are the key properties of (2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
(2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide has a molecular weight of 249.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide is sourced from PubChem (CID 10966884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).