N-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide

C11H10ClF3N2O2S — CID 164930642

IUPACN-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide
SMILESC[C@@H](NC(=O)c1cc(Cl)cc(SC(F)(F)F)c1)C(N)=O
InChIInChI=1S/C11H10ClF3N2O2S/c1-5(9(16)18)17-10(19)6-2-7(12)4-8(3-6)20-11(13,14)15/h2-5H,1H3,(H2,16,18)(H,17,19)/t5-/m1/s1
InChIKeyMTINIMFTUZCPDR-RXMQYKEDSA-N
MW326.73 g/mol
LogP2.56
Rot. Bonds4

About N-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide

N-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide (PubChem CID 164930642) has the molecular formula C11H10ClF3N2O2S and a molecular weight of 326.73 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide
PubChem CID164930642
Molecular FormulaC11H10ClF3N2O2S
Molecular Weight326.73 g/mol
Exact Mass326.01
IUPAC NameN-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide
SMILESC[C@@H](NC(=O)c1cc(Cl)cc(SC(F)(F)F)c1)C(N)=O
InChIInChI=1S/C11H10ClF3N2O2S/c1-5(9(16)18)17-10(19)6-2-7(12)4-8(3-6)20-11(13,14)15/h2-5H,1H3,(H2,16,18)(H,17,19)/t5-/m1/s1
InChIKeyMTINIMFTUZCPDR-RXMQYKEDSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.73
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide (CID 164930642) is N-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide is C[C@@H](NC(=O)c1cc(Cl)cc(SC(F)(F)F)c1)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide?
The InChIKey is MTINIMFTUZCPDR-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2S/c1-5(9(16)18)17-10(19)6-2-7(12)4-8(3-6)20-11(13,14)15/h2-5H,1H3,(H2,16,18)(H,17,19)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide?
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide has a molecular weight of 326.73 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 164930642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).