3-(1-cyclopentylethylamino)-4-nitrobenzamide

C14H19N3O3 — CID 82995881

IUPAC3-(1-cyclopentylethylamino)-4-nitrobenzamide
SMILESCC(Nc1cc(C(N)=O)ccc1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C14H19N3O3/c1-9(10-4-2-3-5-10)16-12-8-11(14(15)18)6-7-13(12)17(19)20/h6-10,16H,2-5H2,1H3,(H2,15,18)
InChIKeyMWFHDKXOJWACDE-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.68
Rot. Bonds5

About 3-(1-cyclopentylethylamino)-4-nitrobenzamide

3-(1-cyclopentylethylamino)-4-nitrobenzamide (PubChem CID 82995881) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(1-cyclopentylethylamino)-4-nitrobenzamide.

Molecular Properties

Compound Name3-(1-cyclopentylethylamino)-4-nitrobenzamide
PubChem CID82995881
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-(1-cyclopentylethylamino)-4-nitrobenzamide
SMILESCC(Nc1cc(C(N)=O)ccc1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C14H19N3O3/c1-9(10-4-2-3-5-10)16-12-8-11(14(15)18)6-7-13(12)17(19)20/h6-10,16H,2-5H2,1H3,(H2,15,18)
InChIKeyMWFHDKXOJWACDE-UHFFFAOYSA-N
XLogP2.68
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.68
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

4-nitro-3-[1-(oxolan-2-yl)ethylamino]benzamide
CID 82995799
3-(cyclohexylamino)-4-nitrobenzamide
CID 82994813
3-(1-cyclopentylethylamino)-4-methoxybenzamide
CID 62632996
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-nitrobenzamide
CID 106345938
4-nitro-3-(pentan-3-ylamino)benzamide
CID 82995194
4-nitro-3-(pentan-2-ylamino)benzamide
CID 82995572
3-[(1-amino-3-methylbutan-2-yl)amino]-4-nitrobenzamide
CID 82994831
4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide
CID 115766672
3-(hexan-2-ylamino)-4-nitrobenzamide
CID 82995731
4-nitro-3-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 82991891
4-nitro-3-(2-pyrrolidin-1-ylpropylamino)benzamide
CID 82992140
N-(1-cyclopentylethyl)-2,5-dimethyl-4-nitroaniline
CID 103144991

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylethylamino)-4-nitrobenzamide?
The IUPAC name of 3-(1-cyclopentylethylamino)-4-nitrobenzamide (CID 82995881) is 3-(1-cyclopentylethylamino)-4-nitrobenzamide.
What is the SMILES notation for 3-(1-cyclopentylethylamino)-4-nitrobenzamide?
The canonical SMILES for 3-(1-cyclopentylethylamino)-4-nitrobenzamide is CC(Nc1cc(C(N)=O)ccc1[N+](=O)[O-])C1CCCC1.
What is the InChIKey of 3-(1-cyclopentylethylamino)-4-nitrobenzamide?
The InChIKey is MWFHDKXOJWACDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(10-4-2-3-5-10)16-12-8-11(14(15)18)6-7-13(12)17(19)20/h6-10,16H,2-5H2,1H3,(H2,15,18).
What are the key properties of 3-(1-cyclopentylethylamino)-4-nitrobenzamide?
3-(1-cyclopentylethylamino)-4-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylethylamino)-4-nitrobenzamide is sourced from PubChem (CID 82995881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).