(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide

C17H17ClN2O5 — CID 7409517

IUPAC(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C17H17ClN2O5/c1-10-8-12(18)4-7-15(10)25-11(2)17(21)19-14-6-5-13(20(22)23)9-16(14)24-3/h4-9,11H,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyGTYSCROAJOBLEL-NSHDSACASA-N
MW364.79 g/mol
LogP3.97
Rot. Bonds6

About (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide

(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide (PubChem CID 7409517) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
PubChem CID7409517
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Name(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C17H17ClN2O5/c1-10-8-12(18)4-7-15(10)25-11(2)17(21)19-14-6-5-13(20(22)23)9-16(14)24-3/h4-9,11H,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyGTYSCROAJOBLEL-NSHDSACASA-N
XLogP3.97
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.97
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-(4-chloro-2-methylphenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7082956
(2S)-2-(4-chloro-2-nitrophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7990835
2-(4-chloro-2-methylphenoxy)-N-(2,4-dinitrophenyl)propanamide
CID 4158916
(2S)-2-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7278991
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7757422
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
(2R)-2-(3,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 8580012
(2S)-N-(2,4-dimethylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947097
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53266234
(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7382527

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The IUPAC name of (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide (CID 7409517) is (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The canonical SMILES for (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide is COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C.
What is the InChIKey of (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The InChIKey is GTYSCROAJOBLEL-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-10-8-12(18)4-7-15(10)25-11(2)17(21)19-14-6-5-13(20(22)23)9-16(14)24-3/h4-9,11H,1-3H3,(H,19,21)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide has a molecular weight of 364.79 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide is sourced from PubChem (CID 7409517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).