3-[(3-methylcyclopentyl)methylamino]-4-nitrobenzamide

C14H19N3O3 — CID 107414029

IUPAC3-[(3-methylcyclopentyl)methylamino]-4-nitrobenzamide
SMILESCC1CCC(CNc2cc(C(N)=O)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C14H19N3O3/c1-9-2-3-10(6-9)8-16-12-7-11(14(15)18)4-5-13(12)17(19)20/h4-5,7,9-10,16H,2-3,6,8H2,1H3,(H2,15,18)
InChIKeyCZTUWPMZIJLQNI-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.54
Rot. Bonds5

About 3-[(3-methylcyclopentyl)methylamino]-4-nitrobenzamide

3-[(3-methylcyclopentyl)methylamino]-4-nitrobenzamide (PubChem CID 107414029) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[(3-methylcyclopentyl)methylamino]-4-nitrobenzamide.

Molecular Properties

Compound Name3-[(3-methylcyclopentyl)methylamino]-4-nitrobenzamide
PubChem CID107414029
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[(3-methylcyclopentyl)methylamino]-4-nitrobenzamide
SMILESCC1CCC(CNc2cc(C(N)=O)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C14H19N3O3/c1-9-2-3-10(6-9)8-16-12-7-11(14(15)18)4-5-13(12)17(19)20/h4-5,7,9-10,16H,2-3,6,8H2,1H3,(H2,15,18)
InChIKeyCZTUWPMZIJLQNI-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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-(oxan-3-ylmethylamino)benzamide
CID 82995576
3-[(1-methylpiperidin-2-yl)methylamino]-4-nitrobenzamide
CID 82991901
4-[(3-hydroxycyclohexyl)methylamino]-3-nitrobenzamide
CID 103703416
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-4-nitrobenzamide
CID 107389651
3-[(3-hydroxycyclobutyl)methylamino]-4-nitrobenzoic acid
CID 82784036
3-[(1-methylpiperidin-4-yl)methylamino]-4-nitrobenzoic acid
CID 82769887
N-methyl-4-nitro-3-(oxan-4-ylmethylamino)benzamide
CID 82993045
4-chloro-5-fluoro-N-[(3-methylcyclopentyl)methyl]-2-nitroaniline
CID 107413976
4-nitro-3-(prop-2-enylamino)benzamide
CID 82995657
3-(morpholin-2-ylmethylamino)-4-nitrobenzamide
CID 82995436
3-[(3-hydroxy-2-methylpropyl)amino]-4-nitrobenzamide
CID 82995957
methyl 4-nitro-3-(thietan-3-ylmethylamino)benzoate
CID 178135764

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylcyclopentyl)methylamino]-4-nitrobenzamide?
The IUPAC name of 3-[(3-methylcyclopentyl)methylamino]-4-nitrobenzamide (CID 107414029) is 3-[(3-methylcyclopentyl)methylamino]-4-nitrobenzamide.
What is the SMILES notation for 3-[(3-methylcyclopentyl)methylamino]-4-nitrobenzamide?
The canonical SMILES for 3-[(3-methylcyclopentyl)methylamino]-4-nitrobenzamide is CC1CCC(CNc2cc(C(N)=O)ccc2[N+](=O)[O-])C1.
What is the InChIKey of 3-[(3-methylcyclopentyl)methylamino]-4-nitrobenzamide?
The InChIKey is CZTUWPMZIJLQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-2-3-10(6-9)8-16-12-7-11(14(15)18)4-5-13(12)17(19)20/h4-5,7,9-10,16H,2-3,6,8H2,1H3,(H2,15,18).
What are the key properties of 3-[(3-methylcyclopentyl)methylamino]-4-nitrobenzamide?
3-[(3-methylcyclopentyl)methylamino]-4-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclopentyl)methylamino]-4-nitrobenzamide is sourced from PubChem (CID 107414029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).