(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide

C16H15ClN2O5 — CID 2632230

IUPAC(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15ClN2O5/c1-10(24-13-6-4-12(5-7-13)19(21)22)16(20)18-14-9-11(17)3-8-15(14)23-2/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyMTHMLPLZRXUICL-SNVBAGLBSA-N
MW350.76 g/mol
LogP3.66
Rot. Bonds6

About (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide

(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide (PubChem CID 2632230) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide
PubChem CID2632230
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15ClN2O5/c1-10(24-13-6-4-12(5-7-13)19(21)22)16(20)18-14-9-11(17)3-8-15(14)23-2/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyMTHMLPLZRXUICL-SNVBAGLBSA-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

N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42989189
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
(2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7763707
methyl 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 17462373
methyl 4-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965358
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652556
1-(2-methoxy-5-methylphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]urea
CID 2954956
1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
CID 108875489
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 17341494
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564228

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide (CID 2632230) is (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide is COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide?
The InChIKey is MTHMLPLZRXUICL-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-10(24-13-6-4-12(5-7-13)19(21)22)16(20)18-14-9-11(17)3-8-15(14)23-2/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide?
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-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 (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 2632230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).