(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide

C16H15ClN2O5 — CID 8947062

IUPAC(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O5/c1-10(16(20)18-13-6-4-3-5-12(13)17)24-15-9-11(19(21)22)7-8-14(15)23-2/h3-10H,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyOBKDYBYLONGQPX-JTQLQIEISA-N
MW350.76 g/mol
LogP3.66
Rot. Bonds6

About (2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide

(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide (PubChem CID 8947062) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is (2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
PubChem CID8947062
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC Name(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O5/c1-10(16(20)18-13-6-4-3-5-12(13)17)24-15-9-11(19(21)22)7-8-14(15)23-2/h3-10H,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyOBKDYBYLONGQPX-JTQLQIEISA-N
XLogP3.66
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2707147
N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 46650196
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-methoxy-5-nitrobenzoate
CID 55422950
(2S)-N-(2-ethoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947212
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947242
(2R)-N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 42082100
N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943122
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564228
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 8956846
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564232
(2S)-N-(2,4-dimethylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947097
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide
CID 7865952

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
The IUPAC name of (2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide (CID 8947062) is (2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide is COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
The InChIKey is OBKDYBYLONGQPX-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-10(16(20)18-13-6-4-3-5-12(13)17)24-15-9-11(19(21)22)7-8-14(15)23-2/h3-10H,1-2H3,(H,18,20)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide has a molecular weight of 350.76 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide is sourced from PubChem (CID 8947062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).