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

C10H9ClF2N2O2 — CID 86785546

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide
SMILESC[C@H](NC(=O)c1cc(F)c(Cl)cc1F)C(N)=O
InChIInChI=1S/C10H9ClF2N2O2/c1-4(9(14)16)15-10(17)5-2-8(13)6(11)3-7(5)12/h2-4H,1H3,(H2,14,16)(H,15,17)/t4-/m0/s1
InChIKeyFUCCTOYKDJFYPY-BYPYZUCNSA-N
MW262.64 g/mol
LogP1.22
Rot. Bonds3

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

N-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide (PubChem CID 86785546) 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]-4-chloro-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide
PubChem CID86785546
Molecular FormulaC10H9ClF2N2O2
Molecular Weight262.64 g/mol
Exact Mass262.03
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide
SMILESC[C@H](NC(=O)c1cc(F)c(Cl)cc1F)C(N)=O
InChIInChI=1S/C10H9ClF2N2O2/c1-4(9(14)16)15-10(17)5-2-8(13)6(11)3-7(5)12/h2-4H,1H3,(H2,14,16)(H,15,17)/t4-/m0/s1
InChIKeyFUCCTOYKDJFYPY-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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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide (CID 86785546) is N-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide is C[C@H](NC(=O)c1cc(F)c(Cl)cc1F)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide?
The InChIKey is FUCCTOYKDJFYPY-BYPYZUCNSA-N. The full InChI is InChI=1S/C10H9ClF2N2O2/c1-4(9(14)16)15-10(17)5-2-8(13)6(11)3-7(5)12/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]-4-chloro-2,5-difluorobenzamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-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]-4-chloro-2,5-difluorobenzamide is sourced from PubChem (CID 86785546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).