N-(1-chloropropan-2-yl)-3,4-difluorobenzamide

C10H10ClF2NO — CID 114299407

IUPACN-(1-chloropropan-2-yl)-3,4-difluorobenzamide
SMILESCC(CCl)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H10ClF2NO/c1-6(5-11)14-10(15)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyVZLNNIRLDYOPGH-UHFFFAOYSA-N
MW233.64 g/mol
LogP2.32
Rot. Bonds3

About N-(1-chloropropan-2-yl)-3,4-difluorobenzamide

N-(1-chloropropan-2-yl)-3,4-difluorobenzamide (PubChem CID 114299407) has the molecular formula C10H10ClF2NO and a molecular weight of 233.64 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-3,4-difluorobenzamide
PubChem CID114299407
Molecular FormulaC10H10ClF2NO
Molecular Weight233.64 g/mol
Exact Mass233.04
IUPAC NameN-(1-chloropropan-2-yl)-3,4-difluorobenzamide
SMILESCC(CCl)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H10ClF2NO/c1-6(5-11)14-10(15)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyVZLNNIRLDYOPGH-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.64
LogP ≤ 52.32
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

3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide
CID 82879716
N-(1-chlorobutan-2-yl)-3,4-difluorobenzamide
CID 114294264
(2S)-2-[(3,4-difluorobenzoyl)amino]propanoic acid
CID 42254634
3,4-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996859
3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
CID 107993829
N-(1-cyanoethyl)-3,4-difluorobenzamide
CID 61119063
(2S)-2-[(3,4-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 42255657
N-(1-chloropropan-2-yl)benzamide
CID 3683093
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
(2R)-2-[(3,4-difluorobenzoyl)amino]-4-methylpentanoic acid
CID 42256010
3-bromo-N-(5-chloropentan-2-yl)-4-fluorobenzamide
CID 107956695
N-(1-chloro-3-phenylpropan-2-yl)-3,4-difluorobenzamide
CID 74554933

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-3,4-difluorobenzamide?
The IUPAC name of N-(1-chloropropan-2-yl)-3,4-difluorobenzamide (CID 114299407) is N-(1-chloropropan-2-yl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-3,4-difluorobenzamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-3,4-difluorobenzamide is CC(CCl)NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(1-chloropropan-2-yl)-3,4-difluorobenzamide?
The InChIKey is VZLNNIRLDYOPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO/c1-6(5-11)14-10(15)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of N-(1-chloropropan-2-yl)-3,4-difluorobenzamide?
N-(1-chloropropan-2-yl)-3,4-difluorobenzamide has a molecular weight of 233.64 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-3,4-difluorobenzamide is sourced from PubChem (CID 114299407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).