4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide

C15H11Cl3N2O3 — CID 9441513

IUPAC4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2O3/c1-8(11-4-2-9(16)6-13(11)18)19-15(21)12-5-3-10(17)7-14(12)20(22)23/h2-8H,1H3,(H,19,21)/t8-/m0/s1
InChIKeyQAGOEDQLOKCRLS-QMMMGPOBSA-N
MW373.62 g/mol
LogP5.05
Rot. Bonds4

About 4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide

4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide (PubChem CID 9441513) has the molecular formula C15H11Cl3N2O3 and a molecular weight of 373.62 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide
PubChem CID9441513
Molecular FormulaC15H11Cl3N2O3
Molecular Weight373.62 g/mol
Exact Mass371.98
IUPAC Name4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2O3/c1-8(11-4-2-9(16)6-13(11)18)19-15(21)12-5-3-10(17)7-14(12)20(22)23/h2-8H,1H3,(H,19,21)/t8-/m0/s1
InChIKeyQAGOEDQLOKCRLS-QMMMGPOBSA-N
XLogP5.05
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.62
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-chloro-2-nitro-N-propan-2-ylbenzamide
CID 789174
N-[(1R)-1-(2-bromophenyl)ethyl]-4-chloro-2-nitrobenzamide
CID 9220064
N-[1-(2,4-dichlorophenyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 46654233
N-butan-2-yl-4-chloro-2-nitrobenzamide
CID 4080070
N-[1-(2,4-dichlorophenyl)ethyl]-3-nitrobenzamide
CID 4793684
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-nitrobenzamide
CID 9365928
4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitrobenzamide
CID 108737296
4-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-nitrobenzamide
CID 55578069
methyl 3-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-5-nitrobenzoate
CID 8503256
N-(1-bromobutan-2-yl)-4-chloro-2-nitrobenzamide
CID 114307538
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide
CID 43079074

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide (CID 9441513) is 4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide is C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide?
The InChIKey is QAGOEDQLOKCRLS-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H11Cl3N2O3/c1-8(11-4-2-9(16)6-13(11)18)19-15(21)12-5-3-10(17)7-14(12)20(22)23/h2-8H,1H3,(H,19,21)/t8-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide?
4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide has a molecular weight of 373.62 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide is sourced from PubChem (CID 9441513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).