(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide

C16H15ClN2O5 — CID 2707147

IUPAC(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O5/c1-10(24-14-6-4-3-5-12(14)17)16(20)18-13-9-11(19(21)22)7-8-15(13)23-2/h3-10H,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyMXKBWABHWNZKDN-JTQLQIEISA-N
MW350.76 g/mol
LogP3.66
Rot. Bonds6

About (2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide

(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide (PubChem CID 2707147) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
PubChem CID2707147
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O5/c1-10(24-14-6-4-3-5-12(14)17)16(20)18-13-9-11(19(21)22)7-8-15(13)23-2/h3-10H,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyMXKBWABHWNZKDN-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)-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)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43875640
(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947062
(2R)-2-(2-cyanophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2565716
(2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7762594
[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 2593684
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 8956846
(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 2631902
2-(2,4-dichlorophenoxy)-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]propanamide
CID 5185381
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)propanamide
CID 8956892

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide (CID 2707147) is (2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide?
The InChIKey is MXKBWABHWNZKDN-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-10(24-14-6-4-3-5-12(14)17)16(20)18-13-9-11(19(21)22)7-8-15(13)23-2/h3-10H,1-2H3,(H,18,20)/t10-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide?
(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)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)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide is sourced from PubChem (CID 2707147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).