2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

C13H14ClF2NO2 — CID 115699924

IUPAC2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H14ClF2NO2/c1-8(2)7-19-4-3-17-13(18)9-5-11(15)12(16)6-10(9)14/h5-6H,1,3-4,7H2,2H3,(H,17,18)
InChIKeyLKTIVTBIZFYHGM-UHFFFAOYSA-N
MW289.71 g/mol
LogP2.94
Rot. Bonds6

About 2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (PubChem CID 115699924) has the molecular formula C13H14ClF2NO2 and a molecular weight of 289.71 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
PubChem CID115699924
Molecular FormulaC13H14ClF2NO2
Molecular Weight289.71 g/mol
Exact Mass289.07
IUPAC Name2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H14ClF2NO2/c1-8(2)7-19-4-3-17-13(18)9-5-11(15)12(16)6-10(9)14/h5-6H,1,3-4,7H2,2H3,(H,17,18)
InChIKeyLKTIVTBIZFYHGM-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.71
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 106502213
2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699987
2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029639
3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 107121499
3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699714
2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 3107152
2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699827
2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-5-nitrobenzamide
CID 115700390
2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699674
N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride
CID 119407529
3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 114469581
5-bromo-2-iodo-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 113258386

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (CID 115699924) is 2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is C=C(C)COCCNC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The InChIKey is LKTIVTBIZFYHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO2/c1-8(2)7-19-4-3-17-13(18)9-5-11(15)12(16)6-10(9)14/h5-6H,1,3-4,7H2,2H3,(H,17,18).
What are the key properties of 2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide has a molecular weight of 289.71 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is sourced from PubChem (CID 115699924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).