2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide

C17H16Cl2N2O2 — CID 122195641

IUPAC2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
SMILESC[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11(12-6-3-2-4-7-12)21-15(22)10-20-17(23)13-8-5-9-14(18)16(13)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1
InChIKeyNXGVAKZDTBDDGF-NSHDSACASA-N
MW351.23 g/mol
LogP3.60
Rot. Bonds5

About 2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide

2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide (PubChem CID 122195641) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
PubChem CID122195641
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
SMILESC[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11(12-6-3-2-4-7-12)21-15(22)10-20-17(23)13-8-5-9-14(18)16(13)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1
InChIKeyNXGVAKZDTBDDGF-NSHDSACASA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9218518
2-chloro-N-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9164728
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 42702795
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 46456768
2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 108997357
2-(difluoromethoxy)-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 7964326
2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 78583452
2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide
CID 75866116
2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9418929
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
2-chloro-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 110949128

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide (CID 122195641) is 2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide is C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The InChIKey is NXGVAKZDTBDDGF-NSHDSACASA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11(12-6-3-2-4-7-12)21-15(22)10-20-17(23)13-8-5-9-14(18)16(13)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1.
What are the key properties of 2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide has a molecular weight of 351.23 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide is sourced from PubChem (CID 122195641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).