2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide

C16H15Cl2N3O3 — CID 9254284

IUPAC2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2N3O3/c1-10(12-7-6-11(17)8-13(12)18)19-9-16(22)20-14-4-2-3-5-15(14)21(23)24/h2-8,10,19H,9H2,1H3,(H,20,22)/t10-/m0/s1
InChIKeyQYQRBYUWMWCSGO-JTQLQIEISA-N
MW368.22 g/mol
LogP4.19
Rot. Bonds6

About 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide

2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide (PubChem CID 9254284) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide
PubChem CID9254284
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Name2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2N3O3/c1-10(12-7-6-11(17)8-13(12)18)19-9-16(22)20-14-4-2-3-5-15(14)21(23)24/h2-8,10,19H,9H2,1H3,(H,20,22)/t10-/m0/s1
InChIKeyQYQRBYUWMWCSGO-JTQLQIEISA-N
XLogP4.19
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253950
N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254310
[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 9254285
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-ethylphenyl)acetamide
CID 9253790
N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254240
N-(2-acetylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254442
N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898566
2-[1-(2,4-dichlorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 84964111
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 9307130
N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253982
N-(5-chloro-2-nitrophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336439
1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 43081434

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide (CID 9254284) is 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide is C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide?
The InChIKey is QYQRBYUWMWCSGO-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-10(12-7-6-11(17)8-13(12)18)19-9-16(22)20-14-4-2-3-5-15(14)21(23)24/h2-8,10,19H,9H2,1H3,(H,20,22)/t10-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide?
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide has a molecular weight of 368.22 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 9254284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).