N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide

C18H16N2O4 — CID 41075665

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide
SMILESC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1
InChIInChI=1S/C18H16N2O4/c1-12(17-10-14-7-3-5-9-16(14)24-17)19-18(21)11-13-6-2-4-8-15(13)20(22)23/h2-10,12H,11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyUIEWYJYBPLZLHT-LBPRGKRZSA-N
MW324.34 g/mol
LogP3.76
Rot. Bonds5

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide (PubChem CID 41075665) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide
PubChem CID41075665
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide
SMILESC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1
InChIInChI=1S/C18H16N2O4/c1-12(17-10-14-7-3-5-9-16(14)24-17)19-18(21)11-13-6-2-4-8-15(13)20(22)23/h2-10,12H,11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyUIEWYJYBPLZLHT-LBPRGKRZSA-N
XLogP3.76
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.76
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-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 9366397
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9367319
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-methyl-4-nitrobenzamide
CID 9366048
N-[1-(1-benzofuran-2-yl)ethyl]-3-methyl-4-nitrobenzamide
CID 17493309
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-nitrobenzamide
CID 9365928
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
N-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
N-[1-(1-benzofuran-2-yl)ethyl]-3-nitropyridin-2-amine
CID 46827983
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-bromo-4,5-dimethoxyphenyl)acetamide
CID 9368689

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide (CID 41075665) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide is C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is UIEWYJYBPLZLHT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-12(17-10-14-7-3-5-9-16(14)24-17)19-18(21)11-13-6-2-4-8-15(13)20(22)23/h2-10,12H,11H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 41075665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).