N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide

C13H15F2N3O3 — CID 79760259

IUPACN-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide
SMILESNCC1CCCC1NC(=O)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C13H15F2N3O3/c14-8-4-5-10(18(20)21)12(15)11(8)13(19)17-9-3-1-2-7(9)6-16/h4-5,7,9H,1-3,6,16H2,(H,17,19)
InChIKeySZWMJCYVWVTZRN-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.73
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide

N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide (PubChem CID 79760259) has the molecular formula C13H15F2N3O3 and a molecular weight of 299.28 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide
PubChem CID79760259
Molecular FormulaC13H15F2N3O3
Molecular Weight299.28 g/mol
Exact Mass299.11
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide
SMILESNCC1CCCC1NC(=O)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C13H15F2N3O3/c14-8-4-5-10(18(20)21)12(15)11(8)13(19)17-9-3-1-2-7(9)6-16/h4-5,7,9H,1-3,6,16H2,(H,17,19)
InChIKeySZWMJCYVWVTZRN-UHFFFAOYSA-N
XLogP1.73
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.73
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

N-(2-aminocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 79773409
N-(2-aminocyclohexyl)-2,6-difluoro-3-nitrobenzamide
CID 79758988
N-(2-bromocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 80661523
N-(2-aminocyclopropyl)-2,6-difluoro-3-nitrobenzamide
CID 79773195
N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide
CID 82816320
N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride
CID 119601035
[(2,6-difluoro-3-nitrobenzoyl)amino]urea
CID 79772861
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
CID 79749551
N-(3-aminocyclobutyl)-2,6-difluoro-3-nitrobenzamide
CID 79773263
2-amino-N-[2-(aminomethyl)cyclopentyl]-5-fluoro-3-nitrobenzamide;hydrochloride
CID 119602993
4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride
CID 119604801
2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79773554

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide (CID 79760259) is N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide is NCC1CCCC1NC(=O)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide?
The InChIKey is SZWMJCYVWVTZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O3/c14-8-4-5-10(18(20)21)12(15)11(8)13(19)17-9-3-1-2-7(9)6-16/h4-5,7,9H,1-3,6,16H2,(H,17,19).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide?
N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide has a molecular weight of 299.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide is sourced from PubChem (CID 79760259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).