2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide

C13H16ClN3O3 — CID 82864692

IUPAC2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide
SMILESNC1(CC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1
InChIInChI=1S/C13H16ClN3O3/c14-10-7-9(3-4-11(10)17(19)20)16-12(18)8-13(15)5-1-2-6-13/h3-4,7H,1-2,5-6,8,15H2,(H,16,18)
InChIKeyUBKZRLQKQFRRGH-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.85
Rot. Bonds4

About 2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide

2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide (PubChem CID 82864692) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide
PubChem CID82864692
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide
SMILESNC1(CC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1
InChIInChI=1S/C13H16ClN3O3/c14-10-7-9(3-4-11(10)17(19)20)16-12(18)8-13(15)5-1-2-6-13/h3-4,7H,1-2,5-6,8,15H2,(H,16,18)
InChIKeyUBKZRLQKQFRRGH-UHFFFAOYSA-N
XLogP2.85
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.85
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-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide
CID 79853601
2-(1-aminocyclobutyl)-N-(4-ethyl-3-nitrophenyl)acetamide
CID 79853814
3-[3-(3-chloro-4-nitroanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-4-nitrophenyl)propanamide
CID 3690405
2-(1-aminocyclopentyl)-N-(3-chlorophenyl)acetamide
CID 64685930
2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide
CID 82864620
2-anilino-N-(3-chloro-4-nitrophenyl)acetamide
CID 82865777
2-[2-(3-chloro-4-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 104570274
2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 79851993
ethyl N-(3-chloro-4-nitrophenyl)carbamate
CID 22921588
2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide
CID 81307584
2-(1-aminocyclopentyl)-N-(2,5-dichlorophenyl)acetamide
CID 64683722
2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 64685123

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide (CID 82864692) is 2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide is NC1(CC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide?
The InChIKey is UBKZRLQKQFRRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c14-10-7-9(3-4-11(10)17(19)20)16-12(18)8-13(15)5-1-2-6-13/h3-4,7H,1-2,5-6,8,15H2,(H,16,18).
What are the key properties of 2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide?
2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide has a molecular weight of 297.74 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide is sourced from PubChem (CID 82864692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).