N-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C14H20ClN3O3 — CID 119719663

IUPACN-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(NC(=O)CC1CCCN1)c1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-10(11-4-2-6-13(8-11)17(19)20)16-14(18)9-12-5-3-7-15-12;/h2,4,6,8,10,12,15H,3,5,7,9H2,1H3,(H,16,18);1H
InChIKeyXZNMHOLNRTZZHU-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.34
Rot. Bonds5

About N-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119719663) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.78 g/mol. Its IUPAC name is N-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119719663
Molecular FormulaC14H20ClN3O3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC NameN-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(NC(=O)CC1CCCN1)c1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-10(11-4-2-6-13(8-11)17(19)20)16-14(18)9-12-5-3-7-15-12;/h2,4,6,8,10,12,15H,3,5,7,9H2,1H3,(H,16,18);1H
InChIKeyXZNMHOLNRTZZHU-UHFFFAOYSA-N
XLogP2.34
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.34
H-Bond Donors ≤ 52
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

2-pyrrolidin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 61364244
N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81403939
N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81404911
N-[1-(3-nitrophenyl)ethyl]-3-oxobutanamide
CID 54867131
N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566
3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 54862606
N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940344
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119852182
2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide
CID 64684273
N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687090
2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 61366605

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119719663) is N-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CC(NC(=O)CC1CCCN1)c1cccc([N+](=O)[O-])c1.Cl.
What is the InChIKey of N-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is XZNMHOLNRTZZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c1-10(11-4-2-6-13(8-11)17(19)20)16-14(18)9-12-5-3-7-15-12;/h2,4,6,8,10,12,15H,3,5,7,9H2,1H3,(H,16,18);1H.
What are the key properties of N-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 313.78 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-nitrophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119719663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).