N-(5-chloro-2-methoxy-4-nitrophenyl)-2-(1-ethylpyrrolidin-2-yl)acetamide

C15H20ClN3O4 — CID 158227768

IUPACN-(5-chloro-2-methoxy-4-nitrophenyl)-2-(1-ethylpyrrolidin-2-yl)acetamide
SMILESCCN1CCCC1CC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H20ClN3O4/c1-3-18-6-4-5-10(18)7-15(20)17-12-8-11(16)13(19(21)22)9-14(12)23-2/h8-10H,3-7H2,1-2H3,(H,17,20)
InChIKeyWCSMWICKBIPRSX-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.07
Rot. Bonds6

About N-(5-chloro-2-methoxy-4-nitrophenyl)-2-(1-ethylpyrrolidin-2-yl)acetamide

N-(5-chloro-2-methoxy-4-nitrophenyl)-2-(1-ethylpyrrolidin-2-yl)acetamide (PubChem CID 158227768) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(5-chloro-2-methoxy-4-nitrophenyl)-2-(1-ethylpyrrolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxy-4-nitrophenyl)-2-(1-ethylpyrrolidin-2-yl)acetamide
PubChem CID158227768
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC NameN-(5-chloro-2-methoxy-4-nitrophenyl)-2-(1-ethylpyrrolidin-2-yl)acetamide
SMILESCCN1CCCC1CC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H20ClN3O4/c1-3-18-6-4-5-10(18)7-15(20)17-12-8-11(16)13(19(21)22)9-14(12)23-2/h8-10H,3-7H2,1-2H3,(H,17,20)
InChIKeyWCSMWICKBIPRSX-UHFFFAOYSA-N
XLogP3.07
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.07
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

1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine
CID 43096827
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxy-4-nitrobenzamide
CID 92951004
methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate
CID 60524285
[(2S)-1-[(4,5-dimethoxy-2-nitrophenyl)methyl]pyrrolidin-2-yl]methanol
CID 27267040
[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]pyrrolidin-2-yl]methanol
CID 44827911
2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 46800759
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103732194
(4,5-dimethoxy-2-nitrophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 58757584
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032802
N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide
CID 2780656
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110859521
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-nitroaniline
CID 62084070

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxy-4-nitrophenyl)-2-(1-ethylpyrrolidin-2-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxy-4-nitrophenyl)-2-(1-ethylpyrrolidin-2-yl)acetamide (CID 158227768) is N-(5-chloro-2-methoxy-4-nitrophenyl)-2-(1-ethylpyrrolidin-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxy-4-nitrophenyl)-2-(1-ethylpyrrolidin-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxy-4-nitrophenyl)-2-(1-ethylpyrrolidin-2-yl)acetamide is CCN1CCCC1CC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-(5-chloro-2-methoxy-4-nitrophenyl)-2-(1-ethylpyrrolidin-2-yl)acetamide?
The InChIKey is WCSMWICKBIPRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O4/c1-3-18-6-4-5-10(18)7-15(20)17-12-8-11(16)13(19(21)22)9-14(12)23-2/h8-10H,3-7H2,1-2H3,(H,17,20).
What are the key properties of N-(5-chloro-2-methoxy-4-nitrophenyl)-2-(1-ethylpyrrolidin-2-yl)acetamide?
N-(5-chloro-2-methoxy-4-nitrophenyl)-2-(1-ethylpyrrolidin-2-yl)acetamide has a molecular weight of 341.80 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxy-4-nitrophenyl)-2-(1-ethylpyrrolidin-2-yl)acetamide is sourced from PubChem (CID 158227768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).