4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide

C11H11Cl2F2NO — CID 82771853

IUPAC4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide
SMILESCCC(CCl)NC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C11H11Cl2F2NO/c1-2-6(5-12)16-11(17)7-3-10(15)8(13)4-9(7)14/h3-4,6H,2,5H2,1H3,(H,16,17)
InChIKeyBVLZSNOWAGLKAC-UHFFFAOYSA-N
MW282.12 g/mol
LogP3.37
Rot. Bonds4

About 4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide

4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide (PubChem CID 82771853) has the molecular formula C11H11Cl2F2NO and a molecular weight of 282.12 g/mol. Its IUPAC name is 4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide
PubChem CID82771853
Molecular FormulaC11H11Cl2F2NO
Molecular Weight282.12 g/mol
Exact Mass281.02
IUPAC Name4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide
SMILESCCC(CCl)NC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C11H11Cl2F2NO/c1-2-6(5-12)16-11(17)7-3-10(15)8(13)4-9(7)14/h3-4,6H,2,5H2,1H3,(H,16,17)
InChIKeyBVLZSNOWAGLKAC-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide
CID 114294205
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296
4-chloro-N-(4-chloro-1-methoxybutan-2-yl)-2,5-difluorobenzamide
CID 106155438
N-(1-chlorobutan-2-yl)-2-fluorobenzamide
CID 114294621
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide
CID 86785546
4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide
CID 175078234
2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide
CID 65315016
N-(1-chlorobutan-2-yl)-3,4-difluorobenzamide
CID 114294264
4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630
4-chloro-N-[3-(chloromethyl)pentan-3-yl]-2,5-difluorobenzamide
CID 82771535
4-chloro-2,5-difluoro-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide
CID 122147380
4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
CID 82771930

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide?
The IUPAC name of 4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide (CID 82771853) is 4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide.
What is the SMILES notation for 4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide?
The canonical SMILES for 4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide is CCC(CCl)NC(=O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide?
The InChIKey is BVLZSNOWAGLKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F2NO/c1-2-6(5-12)16-11(17)7-3-10(15)8(13)4-9(7)14/h3-4,6H,2,5H2,1H3,(H,16,17).
What are the key properties of 4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide?
4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide has a molecular weight of 282.12 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide is sourced from PubChem (CID 82771853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).