4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide

C13H16ClN3O3 — CID 62154937

IUPAC4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
SMILESCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CCCC1
InChIInChI=1S/C13H16ClN3O3/c1-16(9-4-2-3-5-9)13(18)8-6-10(14)12(15)11(7-8)17(19)20/h6-7,9H,2-5,15H2,1H3
InChIKeyVZMDOIAKIMWECZ-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.85
Rot. Bonds3

About 4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide

4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide (PubChem CID 62154937) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
PubChem CID62154937
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
SMILESCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CCCC1
InChIInChI=1S/C13H16ClN3O3/c1-16(9-4-2-3-5-9)13(18)8-6-10(14)12(15)11(7-8)17(19)20/h6-7,9H,2-5,15H2,1H3
InChIKeyVZMDOIAKIMWECZ-UHFFFAOYSA-N
XLogP2.85
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
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

3,4-dichloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
CID 43216446
3,4-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide
CID 115649173
4-amino-3-chloro-N-methyl-5-nitro-N-(thiolan-3-yl)benzamide
CID 62156139
4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide
CID 55041700
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethyl-5-nitrobenzamide
CID 107401352
3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide
CID 61101939
4-amino-3-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-5-nitrobenzamide
CID 62979445
4-amino-3-chloro-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
CID 62338016
4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 82833409
4-amino-3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-nitrobenzamide
CID 79385580
(4-amino-3-chloro-5-nitrophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62160321
N-cyclohexyl-N-methyl-4-(methylamino)-3-nitrobenzamide
CID 17396951

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide?
The IUPAC name of 4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide (CID 62154937) is 4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide?
The canonical SMILES for 4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide is CN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CCCC1.
What is the InChIKey of 4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide?
The InChIKey is VZMDOIAKIMWECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-16(9-4-2-3-5-9)13(18)8-6-10(14)12(15)11(7-8)17(19)20/h6-7,9H,2-5,15H2,1H3.
What are the key properties of 4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide?
4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide has a molecular weight of 297.74 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 62154937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).