(2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide

C15H11Cl3N2O4 — CID 7816817

IUPAC(2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide
SMILESC[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2O4/c1-8(24-11-4-2-10(3-5-11)20(22)23)15(21)19-14-12(17)6-9(16)7-13(14)18/h2-8H,1H3,(H,19,21)/t8-/m0/s1
InChIKeyRTCCIKLAZIFHQN-QMMMGPOBSA-N
MW389.62 g/mol
LogP4.96
Rot. Bonds5

About (2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide

(2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide (PubChem CID 7816817) has the molecular formula C15H11Cl3N2O4 and a molecular weight of 389.62 g/mol. Its IUPAC name is (2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide
PubChem CID7816817
Molecular FormulaC15H11Cl3N2O4
Molecular Weight389.62 g/mol
Exact Mass387.98
IUPAC Name(2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide
SMILESC[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2O4/c1-8(24-11-4-2-10(3-5-11)20(22)23)15(21)19-14-12(17)6-9(16)7-13(14)18/h2-8H,1H3,(H,19,21)/t8-/m0/s1
InChIKeyRTCCIKLAZIFHQN-QMMMGPOBSA-N
XLogP4.96
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.62
LogP ≤ 54.96
H-Bond Donors ≤ 51
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

(2R)-2-(4-acetylphenoxy)-N-(2,4,6-trichlorophenyl)propanamide
CID 7763805
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632230
(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide
CID 17189238
(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide
CID 7816896
(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide
CID 124506694
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333
(2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632124
2-(4-benzoylphenoxy)-N-(2-chloro-5-nitrophenyl)propanamide
CID 18107823

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide?
The IUPAC name of (2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide (CID 7816817) is (2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide is C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide?
The InChIKey is RTCCIKLAZIFHQN-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H11Cl3N2O4/c1-8(24-11-4-2-10(3-5-11)20(22)23)15(21)19-14-12(17)6-9(16)7-13(14)18/h2-8H,1H3,(H,19,21)/t8-/m0/s1.
What are the key properties of (2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide?
(2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide has a molecular weight of 389.62 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide is sourced from PubChem (CID 7816817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).