2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide

C11H12ClF2NO2 — CID 51072684

IUPAC2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H12ClF2NO2/c1-6(5-17-2)15-11(16)7-3-9(13)10(14)4-8(7)12/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeyWYGAYYMAOVVYIF-UHFFFAOYSA-N
MW263.67 g/mol
LogP2.38
Rot. Bonds4

About 2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide

2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 51072684) has the molecular formula C11H12ClF2NO2 and a molecular weight of 263.67 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
PubChem CID51072684
Molecular FormulaC11H12ClF2NO2
Molecular Weight263.67 g/mol
Exact Mass263.05
IUPAC Name2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H12ClF2NO2/c1-6(5-17-2)15-11(16)7-3-9(13)10(14)4-8(7)12/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeyWYGAYYMAOVVYIF-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 30481632
2-chloro-4,5-difluoro-N-(4-hydroxypentan-2-yl)benzamide
CID 113376554
2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide
CID 60637644
2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide
CID 3527786
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide
CID 75500408
3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549
4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 55158856
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296
4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide
CID 82787029
2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029639
tert-butyl (2R)-2-[(2-chloro-4,5-difluorobenzoyl)amino]propanoate
CID 80998906

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide (CID 51072684) is 2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide is COCC(C)NC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is WYGAYYMAOVVYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO2/c1-6(5-17-2)15-11(16)7-3-9(13)10(14)4-8(7)12/h3-4,6H,5H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide?
2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 263.67 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 51072684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).