2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide

C11H12Cl2FNO — CID 63394963

IUPAC2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide
SMILESCCN(CCCl)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C11H12Cl2FNO/c1-2-15(7-6-12)11(16)10-8(13)4-3-5-9(10)14/h3-5H,2,6-7H2,1H3
InChIKeyJOJQHSUQFBMFOU-UHFFFAOYSA-N
MW264.13 g/mol
LogP3.18
Rot. Bonds4

About 2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide

2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide (PubChem CID 63394963) has the molecular formula C11H12Cl2FNO and a molecular weight of 264.13 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide
PubChem CID63394963
Molecular FormulaC11H12Cl2FNO
Molecular Weight264.13 g/mol
Exact Mass263.03
IUPAC Name2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide
SMILESCCN(CCCl)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C11H12Cl2FNO/c1-2-15(7-6-12)11(16)10-8(13)4-3-5-9(10)14/h3-5H,2,6-7H2,1H3
InChIKeyJOJQHSUQFBMFOU-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381925
2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
CID 51074979
2-[(2-chloro-6-fluorobenzoyl)-propylamino]acetic acid
CID 61011677
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-N-ethyl-6-fluorobenzamide
CID 54987662
2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395049
2-chloro-N,N-diethyl-6-methylsulfanylbenzamide
CID 71442782
N-butyl-3-chloro-N-(2-chloroethyl)-2-fluorobenzamide
CID 81262386
2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide
CID 63393170
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677539
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide
CID 66567844
N-(2-chloroethyl)-3-fluoro-N-propylbenzamide
CID 63392950
3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78855421

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide (CID 63394963) is 2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide is CCN(CCCl)C(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide?
The InChIKey is JOJQHSUQFBMFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO/c1-2-15(7-6-12)11(16)10-8(13)4-3-5-9(10)14/h3-5H,2,6-7H2,1H3.
What are the key properties of 2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide?
2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide has a molecular weight of 264.13 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide is sourced from PubChem (CID 63394963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).