N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide

C17H17ClN2O4 — CID 2944518

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17ClN2O4/c1-10-8-15(16(24-3)9-14(10)18)19-17(21)11(2)12-4-6-13(7-5-12)20(22)23/h4-9,11H,1-3H3,(H,19,21)
InChIKeyWCVWOAIFCGTXJX-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.31
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide (PubChem CID 2944518) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide
PubChem CID2944518
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17ClN2O4/c1-10-8-15(16(24-3)9-14(10)18)19-17(21)11(2)12-4-6-13(7-5-12)20(22)23/h4-9,11H,1-3H3,(H,19,21)
InChIKeyWCVWOAIFCGTXJX-UHFFFAOYSA-N
XLogP4.31
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide
CID 108513231
methyl 4,5-dimethoxy-2-[[(2S)-2-(4-nitrophenyl)propanoyl]amino]benzoate
CID 1313519
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
(2R)-N-(2-chlorophenyl)-2-(4-nitrophenyl)propanamide
CID 895147
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782184
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782119
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-nitrobenzoate
CID 43042529
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-nitroanilino)butanamide
CID 29354551
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564232
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564228

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide (CID 2944518) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide is COc1cc(Cl)c(C)cc1NC(=O)C(C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide?
The InChIKey is WCVWOAIFCGTXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-10-8-15(16(24-3)9-14(10)18)19-17(21)11(2)12-4-6-13(7-5-12)20(22)23/h4-9,11H,1-3H3,(H,19,21).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide has a molecular weight of 348.79 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide is sourced from PubChem (CID 2944518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).