1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide

C13H16ClN3O3 — CID 115434825

IUPAC1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C13H16ClN3O3/c14-9-3-4-10(11(7-9)17(19)20)16-12(18)13(8-15)5-1-2-6-13/h3-4,7H,1-2,5-6,8,15H2,(H,16,18)
InChIKeyGYOFAOFTAYWZAS-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.71
Rot. Bonds4

About 1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide (PubChem CID 115434825) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide
PubChem CID115434825
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C13H16ClN3O3/c14-9-3-4-10(11(7-9)17(19)20)16-12(18)13(8-15)5-1-2-6-13/h3-4,7H,1-2,5-6,8,15H2,(H,16,18)
InChIKeyGYOFAOFTAYWZAS-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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

1-amino-N-(4-chloro-2-nitrophenyl)cyclobutane-1-carboxamide
CID 81178795
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
1-(aminomethyl)-N-(5-methyl-2-nitrophenyl)cyclohexane-1-carboxamide
CID 115912642
1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide
CID 115452553
1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide
CID 115434808
1-(aminomethyl)-N-(2-bromo-4-nitrophenyl)cyclobutane-1-carboxamide
CID 115447730
1-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxamide
CID 107744548
1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 115452488
4-chloro-N-(1-methylcyclopentyl)-2-nitroaniline
CID 61368894
1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 81485238
1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115437214
1-(aminomethyl)-N-(4-methyl-3-nitrophenyl)cyclobutane-1-carboxamide
CID 115447360

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide (CID 115434825) is 1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide is NCC1(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide?
The InChIKey is GYOFAOFTAYWZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c14-9-3-4-10(11(7-9)17(19)20)16-12(18)13(8-15)5-1-2-6-13/h3-4,7H,1-2,5-6,8,15H2,(H,16,18).
What are the key properties of 1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide has a molecular weight of 297.74 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 115434825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).