(2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide

C17H15ClN2O6 — CID 8733327

IUPAC(2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2C=O)cc1Cl
InChIInChI=1S/C17H15ClN2O6/c1-10(17(22)19-12-3-5-16(25-2)14(18)8-12)26-15-6-4-13(20(23)24)7-11(15)9-21/h3-10H,1-2H3,(H,19,22)/t10-/m1/s1
InChIKeyZTEWBPZCHJRXPS-SNVBAGLBSA-N
MW378.77 g/mol
LogP3.48
Rot. Bonds7

About (2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide

(2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide (PubChem CID 8733327) has the molecular formula C17H15ClN2O6 and a molecular weight of 378.77 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
PubChem CID8733327
Molecular FormulaC17H15ClN2O6
Molecular Weight378.77 g/mol
Exact Mass378.06
IUPAC Name(2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2C=O)cc1Cl
InChIInChI=1S/C17H15ClN2O6/c1-10(17(22)19-12-3-5-16(25-2)14(18)8-12)26-15-6-4-13(20(23)24)7-11(15)9-21/h3-10H,1-2H3,(H,19,22)/t10-/m1/s1
InChIKeyZTEWBPZCHJRXPS-SNVBAGLBSA-N
XLogP3.48
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.77
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)propanamide
CID 8956892
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947242
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8956878
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7865944
(2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7762594
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564228
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564232
(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7990437
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
CID 8947121
(2S)-N-(2,6-difluorophenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733285
(2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 7931785
(2S)-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)propanamide
CID 8733172

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide (CID 8733327) is (2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide is COc1ccc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2C=O)cc1Cl.
What is the InChIKey of (2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide?
The InChIKey is ZTEWBPZCHJRXPS-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15ClN2O6/c1-10(17(22)19-12-3-5-16(25-2)14(18)8-12)26-15-6-4-13(20(23)24)7-11(15)9-21/h3-10H,1-2H3,(H,19,22)/t10-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide?
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide has a molecular weight of 378.77 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide is sourced from PubChem (CID 8733327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).