N-chloro-2-ethyl-4-fluorobenzamide

C9H9ClFNO — CID 170651217

IUPACN-chloro-2-ethyl-4-fluorobenzamide
SMILESCCc1cc(F)ccc1C(=O)NCl
InChIInChI=1S/C9H9ClFNO/c1-2-6-5-7(11)3-4-8(6)9(13)12-10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyKWCUOHYUILNUPG-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.27
Rot. Bonds2

About N-chloro-2-ethyl-4-fluorobenzamide

N-chloro-2-ethyl-4-fluorobenzamide (PubChem CID 170651217) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is N-chloro-2-ethyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-chloro-2-ethyl-4-fluorobenzamide
PubChem CID170651217
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC NameN-chloro-2-ethyl-4-fluorobenzamide
SMILESCCc1cc(F)ccc1C(=O)NCl
InChIInChI=1S/C9H9ClFNO/c1-2-6-5-7(11)3-4-8(6)9(13)12-10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyKWCUOHYUILNUPG-UHFFFAOYSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-fluorobenzoic acid
CID 22101376
3-bromo-1-(2-ethyl-4-fluorophenyl)propan-1-one
CID 134624566
methyl 2-ethyl-4-fluorobenzenecarboximidothioate
CID 142108406
N-(2-ethyl-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 115573702
N-(2,6-diethylphenyl)-2,4-difluorobenzamide
CID 2495338
2-ethyl-1,4-difluorobenzene
CID 23202513
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 47112870
methyl (Z)-2-cyano-3-(2-ethyl-4-fluorophenyl)but-2-enoate
CID 71146435
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
CID 63410277
N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine
CID 84765578
1-[4-fluoro-2-(methylaminomethyl)phenyl]ethanone
CID 144854306

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-ethyl-4-fluorobenzamide?
The IUPAC name of N-chloro-2-ethyl-4-fluorobenzamide (CID 170651217) is N-chloro-2-ethyl-4-fluorobenzamide.
What is the SMILES notation for N-chloro-2-ethyl-4-fluorobenzamide?
The canonical SMILES for N-chloro-2-ethyl-4-fluorobenzamide is CCc1cc(F)ccc1C(=O)NCl.
What is the InChIKey of N-chloro-2-ethyl-4-fluorobenzamide?
The InChIKey is KWCUOHYUILNUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-2-6-5-7(11)3-4-8(6)9(13)12-10/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of N-chloro-2-ethyl-4-fluorobenzamide?
N-chloro-2-ethyl-4-fluorobenzamide has a molecular weight of 201.63 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-ethyl-4-fluorobenzamide is sourced from PubChem (CID 170651217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).