(2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide

C14H13F2NO — CID 11747017

IUPAC(2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESO=C(/C=C1\CCc2c(F)cc(F)cc21)NC1CC1
InChIInChI=1S/C14H13F2NO/c15-9-6-12-8(1-4-11(12)13(16)7-9)5-14(18)17-10-2-3-10/h5-7,10H,1-4H2,(H,17,18)/b8-5+
InChIKeyGTJPGNFDSRZYSP-VMPITWQZSA-N
MW249.26 g/mol
LogP2.57
Rot. Bonds2

About (2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide

(2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide (PubChem CID 11747017) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is (2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide
PubChem CID11747017
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name(2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESO=C(/C=C1\CCc2c(F)cc(F)cc21)NC1CC1
InChIInChI=1S/C14H13F2NO/c15-9-6-12-8(1-4-11(12)13(16)7-9)5-14(18)17-10-2-3-10/h5-7,10H,1-4H2,(H,17,18)/b8-5+
InChIKeyGTJPGNFDSRZYSP-VMPITWQZSA-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

(2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
CID 11780420
(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide
CID 11020910
(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10977718
(2Z)-N-cyclopropyl-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide
CID 23293620
(2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
CID 11064748
2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 54433893
(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide
CID 11779944
(2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
CID 19698778
(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride
CID 11107593
(2E)-N-cyclopropyl-2-(7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetamide;(2E)-2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-1-pyrrolidin-1-ylethanone
CID 158013126
2-amino-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 83533215
2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide
CID 65100669

Frequently Asked Questions

What is the IUPAC name of (2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
The IUPAC name of (2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide (CID 11747017) is (2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide.
What is the SMILES notation for (2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
The canonical SMILES for (2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide is O=C(/C=C1\CCc2c(F)cc(F)cc21)NC1CC1.
What is the InChIKey of (2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
The InChIKey is GTJPGNFDSRZYSP-VMPITWQZSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-9-6-12-8(1-4-11(12)13(16)7-9)5-14(18)17-10-2-3-10/h5-7,10H,1-4H2,(H,17,18)/b8-5+.
What are the key properties of (2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
(2E)-N-cyclopropyl-2-(4,6-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-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide is sourced from PubChem (CID 11747017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).