N-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide

C14H18FN3O4 — CID 119567004

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide
SMILESNCC1(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCCC1
InChIInChI=1S/C14H18FN3O4/c15-11-7-10(3-4-12(11)18(20)21)22-8-13(19)17-14(9-16)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9,16H2,(H,17,19)
InChIKeyKFBFOUWNPZNRHS-UHFFFAOYSA-N
MW311.31 g/mol
LogP1.50
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide

N-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide (PubChem CID 119567004) has the molecular formula C14H18FN3O4 and a molecular weight of 311.31 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide
PubChem CID119567004
Molecular FormulaC14H18FN3O4
Molecular Weight311.31 g/mol
Exact Mass311.13
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide
SMILESNCC1(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCCC1
InChIInChI=1S/C14H18FN3O4/c15-11-7-10(3-4-12(11)18(20)21)22-8-13(19)17-14(9-16)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9,16H2,(H,17,19)
InChIKeyKFBFOUWNPZNRHS-UHFFFAOYSA-N
XLogP1.50
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride
CID 119384116
N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 119523608
N-[1-(aminomethyl)cyclopentyl]-2-(3,4-dimethylphenoxy)acetamide
CID 119565775
N-[1-(aminomethyl)cyclopentyl]-4,5-difluoro-2-nitrobenzamide
CID 63889571
N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride
CID 119567396
N-(cyanomethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 78989504
N-[1-(aminomethyl)cyclohexyl]-2-phenoxyacetamide
CID 63755837
N-butan-2-yl-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 47449672
1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone
CID 63904794
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-nitrobenzenesulfonamide
CID 82844866
N-[1-(aminomethyl)cyclopentyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119567192
1-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119113831

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide (CID 119567004) is N-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide is NCC1(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide?
The InChIKey is KFBFOUWNPZNRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O4/c15-11-7-10(3-4-12(11)18(20)21)22-8-13(19)17-14(9-16)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9,16H2,(H,17,19).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide?
N-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide has a molecular weight of 311.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(3-fluoro-4-nitrophenoxy)acetamide is sourced from PubChem (CID 119567004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).