N-[2-(ethylamino)-3-methylidenecyclopropyl]-4-fluorobenzamide

C13H15FN2O — CID 90267965

IUPACN-[2-(ethylamino)-3-methylidenecyclopropyl]-4-fluorobenzamide
SMILESC=C1C(NCC)C1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c1-3-15-11-8(2)12(11)16-13(17)9-4-6-10(14)7-5-9/h4-7,11-12,15H,2-3H2,1H3,(H,16,17)
InChIKeyMPGAAGSIUIXVDP-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.47
Rot. Bonds4

About N-[2-(ethylamino)-3-methylidenecyclopropyl]-4-fluorobenzamide

N-[2-(ethylamino)-3-methylidenecyclopropyl]-4-fluorobenzamide (PubChem CID 90267965) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is N-[2-(ethylamino)-3-methylidenecyclopropyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-3-methylidenecyclopropyl]-4-fluorobenzamide
PubChem CID90267965
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC NameN-[2-(ethylamino)-3-methylidenecyclopropyl]-4-fluorobenzamide
SMILESC=C1C(NCC)C1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c1-3-15-11-8(2)12(11)16-13(17)9-4-6-10(14)7-5-9/h4-7,11-12,15H,2-3H2,1H3,(H,16,17)
InChIKeyMPGAAGSIUIXVDP-UHFFFAOYSA-N
XLogP1.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluorobenzohydrazide
CID 9972
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791
4-fluoro-N-(1-oxothian-4-yl)benzamide
CID 115886679
N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide
CID 113245262
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
(4-fluorophenyl)-triethylgermylmethanone
CID 13109997
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
2-ethyl-2-[(4-fluorobenzoyl)amino]butanoic acid
CID 79806593
2-(ethylamino)-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 116566054
4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide
CID 87412012

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-3-methylidenecyclopropyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(ethylamino)-3-methylidenecyclopropyl]-4-fluorobenzamide (CID 90267965) is N-[2-(ethylamino)-3-methylidenecyclopropyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(ethylamino)-3-methylidenecyclopropyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(ethylamino)-3-methylidenecyclopropyl]-4-fluorobenzamide is C=C1C(NCC)C1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(ethylamino)-3-methylidenecyclopropyl]-4-fluorobenzamide?
The InChIKey is MPGAAGSIUIXVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-15-11-8(2)12(11)16-13(17)9-4-6-10(14)7-5-9/h4-7,11-12,15H,2-3H2,1H3,(H,16,17).
What are the key properties of N-[2-(ethylamino)-3-methylidenecyclopropyl]-4-fluorobenzamide?
N-[2-(ethylamino)-3-methylidenecyclopropyl]-4-fluorobenzamide has a molecular weight of 234.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-3-methylidenecyclopropyl]-4-fluorobenzamide is sourced from PubChem (CID 90267965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).