5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide

C11H12Cl2FNO — CID 114294205

IUPAC5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide
SMILESCCC(CCl)NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C11H12Cl2FNO/c1-2-8(6-12)15-11(16)9-5-7(13)3-4-10(9)14/h3-5,8H,2,6H2,1H3,(H,15,16)
InChIKeyXTACLDPYXPOKNG-UHFFFAOYSA-N
MW264.13 g/mol
LogP3.23
Rot. Bonds4

About 5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide

5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide (PubChem CID 114294205) has the molecular formula C11H12Cl2FNO and a molecular weight of 264.13 g/mol. Its IUPAC name is 5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide
PubChem CID114294205
Molecular FormulaC11H12Cl2FNO
Molecular Weight264.13 g/mol
Exact Mass263.03
IUPAC Name5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide
SMILESCCC(CCl)NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C11H12Cl2FNO/c1-2-8(6-12)15-11(16)9-5-7(13)3-4-10(9)14/h3-5,8H,2,6H2,1H3,(H,15,16)
InChIKeyXTACLDPYXPOKNG-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide
CID 82771853
N-(1-chlorobutan-2-yl)-2-fluorobenzamide
CID 114294621
N-(1-chlorobutan-2-yl)-3,4-difluorobenzamide
CID 114294264
N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide
CID 65194048
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
N-(1-chloro-4-methylpentan-2-yl)-2,5-difluorobenzamide
CID 113272540
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103919965
5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 61146087
N-[(2R)-1-aminopropan-2-yl]-5-chloro-2-fluorobenzamide
CID 104873078
2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid
CID 43630351
5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103919695
2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183423

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide (CID 114294205) is 5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide is CCC(CCl)NC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide?
The InChIKey is XTACLDPYXPOKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO/c1-2-8(6-12)15-11(16)9-5-7(13)3-4-10(9)14/h3-5,8H,2,6H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide?
5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide has a molecular weight of 264.13 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 114294205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).