4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide

C11H12Cl2FNO — CID 83187469

IUPAC4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide
SMILESCC(CCCl)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H12Cl2FNO/c1-7(4-5-12)15-11(16)9-3-2-8(13)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyGISGOGBUBYGGIV-UHFFFAOYSA-N
MW264.13 g/mol
LogP3.23
Rot. Bonds4

About 4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide

4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide (PubChem CID 83187469) has the molecular formula C11H12Cl2FNO and a molecular weight of 264.13 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide
PubChem CID83187469
Molecular FormulaC11H12Cl2FNO
Molecular Weight264.13 g/mol
Exact Mass263.03
IUPAC Name4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide
SMILESCC(CCCl)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H12Cl2FNO/c1-7(4-5-12)15-11(16)9-3-2-8(13)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyGISGOGBUBYGGIV-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

2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide
CID 83178224
N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
CID 120508532
N-(4-chlorobutan-2-yl)-2,5-difluorobenzamide
CID 83188294
2,4-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305887
4-chloro-N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-2-fluorobenzamide
CID 98726755
4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 95161875
4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100540757
2-chloro-N-(4-chlorobutan-2-yl)-4-methylbenzamide
CID 106863994
N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide
CID 114390061
N-(1-chloro-4-methylpentan-3-yl)-2,4-difluorobenzamide
CID 106354787
4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 24683116
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide (CID 83187469) is 4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide is CC(CCCl)NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide?
The InChIKey is GISGOGBUBYGGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO/c1-7(4-5-12)15-11(16)9-3-2-8(13)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide?
4-chloro-N-(4-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 4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 83187469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).