N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide

C10H9ClF2N2O2 — CID 75500408

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide
SMILESC[C@H](NC(=O)c1cc(F)c(F)cc1Cl)C(N)=O
InChIInChI=1S/C10H9ClF2N2O2/c1-4(9(14)16)15-10(17)5-2-7(12)8(13)3-6(5)11/h2-4H,1H3,(H2,14,16)(H,15,17)/t4-/m0/s1
InChIKeyIXFKTANBTVYIMH-BYPYZUCNSA-N
MW262.64 g/mol
LogP1.22
Rot. Bonds3

About N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide (PubChem CID 75500408) has the molecular formula C10H9ClF2N2O2 and a molecular weight of 262.64 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide
PubChem CID75500408
Molecular FormulaC10H9ClF2N2O2
Molecular Weight262.64 g/mol
Exact Mass262.03
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide
SMILESC[C@H](NC(=O)c1cc(F)c(F)cc1Cl)C(N)=O
InChIInChI=1S/C10H9ClF2N2O2/c1-4(9(14)16)15-10(17)5-2-7(12)8(13)3-6(5)11/h2-4H,1H3,(H2,14,16)(H,15,17)/t4-/m0/s1
InChIKeyIXFKTANBTVYIMH-BYPYZUCNSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.64
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide
CID 86785546
tert-butyl (2R)-2-[(2-chloro-4,5-difluorobenzoyl)amino]propanoate
CID 80998906
2-chloro-4,5-difluoro-N-(4-hydroxypentan-2-yl)benzamide
CID 113376554
2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 51072684
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296
N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
CID 103763560
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 2970246
5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide
CID 55118572
2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide
CID 62661518
2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide
CID 3527786
N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide
CID 171390393

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide (CID 75500408) is N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide is C[C@H](NC(=O)c1cc(F)c(F)cc1Cl)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide?
The InChIKey is IXFKTANBTVYIMH-BYPYZUCNSA-N. The full InChI is InChI=1S/C10H9ClF2N2O2/c1-4(9(14)16)15-10(17)5-2-7(12)8(13)3-6(5)11/h2-4H,1H3,(H2,14,16)(H,15,17)/t4-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide has a molecular weight of 262.64 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide is sourced from PubChem (CID 75500408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).