N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide

C20H19N3O3 — CID 21216723

IUPACN-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide
SMILESN#CC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)CCCC1
InChIInChI=1S/C20H19N3O3/c21-14-20(11-1-2-12-20)16-5-7-17(8-6-16)22-19(24)13-15-3-9-18(10-4-15)23(25)26/h3-10H,1-2,11-13H2,(H,22,24)
InChIKeyVGRKIHJXYLUVRV-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.11
Rot. Bonds5

About N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide

N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide (PubChem CID 21216723) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide
PubChem CID21216723
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide
SMILESN#CC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)CCCC1
InChIInChI=1S/C20H19N3O3/c21-14-20(11-1-2-12-20)16-5-7-17(8-6-16)22-19(24)13-15-3-9-18(10-4-15)23(25)26/h3-10H,1-2,11-13H2,(H,22,24)
InChIKeyVGRKIHJXYLUVRV-UHFFFAOYSA-N
XLogP4.11
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.11
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-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide
CID 2958215
N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118395806
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide
CID 9398234
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 60576778
2-(4-methylsulfanylphenyl)-N-(4-nitrophenyl)acetamide
CID 18586808
1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43402804
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
CID 1377182
2-[4-[[2-(4-nitrophenyl)acetyl]amino]phenoxy]acetate
CID 2231936
2-(4-nitrophenyl)spiro[3.6]decane-2-carbonitrile
CID 103193771
4-cyano-4-(4-nitrophenyl)piperidine-1-carboxylic acid
CID 142762721

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide (CID 21216723) is N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide is N#CC1(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)CCCC1.
What is the InChIKey of N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is VGRKIHJXYLUVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c21-14-20(11-1-2-12-20)16-5-7-17(8-6-16)22-19(24)13-15-3-9-18(10-4-15)23(25)26/h3-10H,1-2,11-13H2,(H,22,24).
What are the key properties of N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide?
N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 21216723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).