4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide

C13H17N3O3 — CID 114540566

IUPAC4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide
SMILESCC1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C13H17N3O3/c1-8-2-4-10(6-8)15-13(17)9-3-5-11(14)12(7-9)16(18)19/h3,5,7-8,10H,2,4,6,14H2,1H3,(H,15,17)
InChIKeyJDNZQDYDYPCPTP-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.10
Rot. Bonds3

About 4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide

4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide (PubChem CID 114540566) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide
PubChem CID114540566
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide
SMILESCC1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C13H17N3O3/c1-8-2-4-10(6-8)15-13(17)9-3-5-11(14)12(7-9)16(18)19/h3,5,7-8,10H,2,4,6,14H2,1H3,(H,15,17)
InChIKeyJDNZQDYDYPCPTP-UHFFFAOYSA-N
XLogP2.10
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-methylsulfanylcyclopentyl)-3-nitrobenzamide
CID 103708443
4-amino-N-cyclopentyl-3-nitrobenzamide
CID 25466600
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-amino-3-nitrobenzoate
CID 7781532
4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide
CID 114540505
4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide
CID 154862046
4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide
CID 115670988
4-amino-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride
CID 120576187
cis-(1R,3S)-3-[(4-bromo-3-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321375
3,5-diamino-N-(3-methylcyclopentyl)benzamide
CID 114542578
4-fluoro-5-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzamide
CID 114541023
N-(3-aminocyclobutyl)-4-methyl-3-nitrobenzamide
CID 43595120
4-(2-methoxyethylamino)-N-(4-methylcyclohexyl)-3-nitrobenzamide
CID 51255159

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide?
The IUPAC name of 4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide (CID 114540566) is 4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide is CC1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1.
What is the InChIKey of 4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide?
The InChIKey is JDNZQDYDYPCPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-2-4-10(6-8)15-13(17)9-3-5-11(14)12(7-9)16(18)19/h3,5,7-8,10H,2,4,6,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide?
4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide has a molecular weight of 263.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide is sourced from PubChem (CID 114540566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).