(2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide

C14H13ClFNO — CID 11780420

IUPAC(2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
SMILESO=C(/C=C1\CCc2c(F)cc(Cl)cc21)NC1CC1
InChIInChI=1S/C14H13ClFNO/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+
InChIKeyWUXGHZSLGGRCSK-VMPITWQZSA-N
MW265.71 g/mol
LogP3.09
Rot. Bonds2

About (2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide

(2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide (PubChem CID 11780420) has the molecular formula C14H13ClFNO and a molecular weight of 265.71 g/mol. Its IUPAC name is (2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide.

Molecular Properties

Compound Name(2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
PubChem CID11780420
Molecular FormulaC14H13ClFNO
Molecular Weight265.71 g/mol
Exact Mass265.07
IUPAC Name(2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
SMILESO=C(/C=C1\CCc2c(F)cc(Cl)cc21)NC1CC1
InChIInChI=1S/C14H13ClFNO/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+
InChIKeyWUXGHZSLGGRCSK-VMPITWQZSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 53.09
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)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 11747017
(2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
CID 11064748
(2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
CID 19698778
(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10977718
(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide
CID 11020910
(E)-3-(3-chloro-4-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 43388724
2-(4-chloro-2-fluorophenyl)-N-cyclopropylacetamide
CID 56920036
2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 54433893
(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride
CID 11107593
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
(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

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide?
The IUPAC name of (2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide (CID 11780420) is (2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide.
What is the SMILES notation for (2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide?
The canonical SMILES for (2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide is O=C(/C=C1\CCc2c(F)cc(Cl)cc21)NC1CC1.
What is the InChIKey of (2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide?
The InChIKey is WUXGHZSLGGRCSK-VMPITWQZSA-N. The full InChI is InChI=1S/C14H13ClFNO/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)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide?
(2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide has a molecular weight of 265.71 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide is sourced from PubChem (CID 11780420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).