2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide

C11H12Cl2FNO2 — CID 106183426

IUPAC2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide
SMILESCOCC(CCl)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C11H12Cl2FNO2/c1-17-6-7(5-12)15-11(16)10-8(13)3-2-4-9(10)14/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyVPQQVYAXRUDYSG-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.46
Rot. Bonds5

About 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide

2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide (PubChem CID 106183426) has the molecular formula C11H12Cl2FNO2 and a molecular weight of 280.13 g/mol. Its IUPAC name is 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide
PubChem CID106183426
Molecular FormulaC11H12Cl2FNO2
Molecular Weight280.13 g/mol
Exact Mass279.02
IUPAC Name2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide
SMILESCOCC(CCl)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C11H12Cl2FNO2/c1-17-6-7(5-12)15-11(16)10-8(13)3-2-4-9(10)14/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyVPQQVYAXRUDYSG-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 106183536
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920045
N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 114154757
2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183423
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide
CID 103850864
N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide
CID 10999433
N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanoic acid
CID 42255188
2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252320
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate
CID 110493573
1-(2-chloro-6-fluorophenyl)-4-methoxybutan-1-one
CID 115815531

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide (CID 106183426) is 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide is COCC(CCl)NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide?
The InChIKey is VPQQVYAXRUDYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO2/c1-17-6-7(5-12)15-11(16)10-8(13)3-2-4-9(10)14/h2-4,7H,5-6H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide?
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide has a molecular weight of 280.13 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide is sourced from PubChem (CID 106183426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).