N-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide

C10H8ClF3N2O2S — CID 155586677

IUPACN-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide
SMILESNC(=O)CNC(=O)c1cc(Cl)cc(SC(F)(F)F)c1
InChIInChI=1S/C10H8ClF3N2O2S/c11-6-1-5(9(18)16-4-8(15)17)2-7(3-6)19-10(12,13)14/h1-3H,4H2,(H2,15,17)(H,16,18)
InChIKeyJLBSJMSVPCURRK-UHFFFAOYSA-N
MW312.70 g/mol
LogP2.17
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide

N-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide (PubChem CID 155586677) has the molecular formula C10H8ClF3N2O2S and a molecular weight of 312.70 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide
PubChem CID155586677
Molecular FormulaC10H8ClF3N2O2S
Molecular Weight312.70 g/mol
Exact Mass311.99
IUPAC NameN-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide
SMILESNC(=O)CNC(=O)c1cc(Cl)cc(SC(F)(F)F)c1
InChIInChI=1S/C10H8ClF3N2O2S/c11-6-1-5(9(18)16-4-8(15)17)2-7(3-6)19-10(12,13)14/h1-3H,4H2,(H2,15,17)(H,16,18)
InChIKeyJLBSJMSVPCURRK-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide
CID 164930642
1-[3-chloro-5-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 166640865
N-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide
CID 154764718
2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
CID 62156055
2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid
CID 175668363
N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62248286
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide
CID 81325204
1-[3,5-bis(trifluoromethylsulfanyl)phenyl]-3-chloropropan-1-one
CID 118804095
3,5-dichlorobenzohydrazide
CID 2735966
3-chloro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-5-(trifluoromethyl)benzamide
CID 91649838
3-amino-5-chloro-N-(4,4,4-trifluorobutyl)benzamide
CID 113326593
N-(2-amino-2-oxoethyl)-3,4-dichloro-5-nitrobenzamide
CID 43216293

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide (CID 155586677) is N-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide is NC(=O)CNC(=O)c1cc(Cl)cc(SC(F)(F)F)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide?
The InChIKey is JLBSJMSVPCURRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N2O2S/c11-6-1-5(9(18)16-4-8(15)17)2-7(3-6)19-10(12,13)14/h1-3H,4H2,(H2,15,17)(H,16,18).
What are the key properties of N-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide?
N-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide has a molecular weight of 312.70 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-chloro-5-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 155586677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).