N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride

C13H17ClFN3O3 — CID 119601035

IUPACN-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H16FN3O3.ClH/c14-9-4-5-10(12(6-9)17(19)20)13(18)16-11-3-1-2-8(11)7-15;/h4-6,8,11H,1-3,7,15H2,(H,16,18);1H
InChIKeyBCJXKRKGFZGHEP-UHFFFAOYSA-N
MW317.75 g/mol
LogP2.01
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride (PubChem CID 119601035) has the molecular formula C13H17ClFN3O3 and a molecular weight of 317.75 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride
PubChem CID119601035
Molecular FormulaC13H17ClFN3O3
Molecular Weight317.75 g/mol
Exact Mass317.09
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H16FN3O3.ClH/c14-9-4-5-10(12(6-9)17(19)20)13(18)16-11-3-1-2-8(11)7-15;/h4-6,8,11H,1-3,7,15H2,(H,16,18);1H
InChIKeyBCJXKRKGFZGHEP-UHFFFAOYSA-N
XLogP2.01
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 52.01
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-amino-N-[2-(aminomethyl)cyclopentyl]-5-fluoro-3-nitrobenzamide;hydrochloride
CID 119602993
N-(2-bromocyclopentyl)-4-fluoro-2-nitrobenzamide
CID 113417422
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride
CID 119602955
N-cyclopropyl-4-fluoro-2-nitrobenzamide
CID 112698911
4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride
CID 119604801
N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide
CID 79760259
N-[2-(chloromethyl)cyclopentyl]-2,5-difluoro-3-nitrobenzamide
CID 106366051
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
CID 79749551
N-[2-(bromomethyl)cyclohexyl]-4-chloro-2-nitrobenzamide
CID 106367375
N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropylamino)-3-nitrobenzamide;hydrochloride
CID 119610250
N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzamide
CID 103751348
N-(cyclopropylmethoxy)-4-fluoro-2-nitrobenzamide
CID 139999053

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride (CID 119601035) is N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride?
The InChIKey is BCJXKRKGFZGHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3.ClH/c14-9-4-5-10(12(6-9)17(19)20)13(18)16-11-3-1-2-8(11)7-15;/h4-6,8,11H,1-3,7,15H2,(H,16,18);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride has a molecular weight of 317.75 g/mol, XLogP of 2.01, 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]-4-fluoro-2-nitrobenzamide;hydrochloride is sourced from PubChem (CID 119601035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).