2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide

C17H17ClN2O2 — CID 2303171

IUPAC2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-12(13-7-3-2-4-8-13)20-16(21)11-19-17(22)14-9-5-6-10-15(14)18/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyRTTSKAFIJXEJQL-LBPRGKRZSA-N
MW316.79 g/mol
LogP2.95
Rot. Bonds5

About 2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide

2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide (PubChem CID 2303171) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
PubChem CID2303171
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-12(13-7-3-2-4-8-13)20-16(21)11-19-17(22)14-9-5-6-10-15(14)18/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyRTTSKAFIJXEJQL-LBPRGKRZSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide (CID 2303171) is 2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide is C[C@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The InChIKey is RTTSKAFIJXEJQL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12(13-7-3-2-4-8-13)20-16(21)11-19-17(22)14-9-5-6-10-15(14)18/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1.
What are the key properties of 2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide has a molecular weight of 316.79 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide is sourced from PubChem (CID 2303171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).