4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide

C14H19N3O3 — CID 82989614

IUPAC4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
SMILESCCNC(=O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-2-15-14(18)10-7-8-12(13(9-10)17(19)20)16-11-5-3-4-6-11/h7-9,11,16H,2-6H2,1H3,(H,15,18)
InChIKeyXCXNBCBMCJYKAS-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.70
Rot. Bonds5

About 4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide

4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide (PubChem CID 82989614) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
PubChem CID82989614
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
SMILESCCNC(=O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-2-15-14(18)10-7-8-12(13(9-10)17(19)20)16-11-5-3-4-6-11/h7-9,11,16H,2-6H2,1H3,(H,15,18)
InChIKeyXCXNBCBMCJYKAS-UHFFFAOYSA-N
XLogP2.70
TPSA84.27 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 ≤ 52.70
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-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
4-[(2-aminocyclopropyl)amino]-N-ethyl-3-nitrobenzamide
CID 82990452
ethyl 4-(cyclopentylamino)-3-nitrobenzoate
CID 86240601
4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide
CID 55968048
4-(cyclopropylamino)-N-(3-hydroxybutyl)-3-nitrobenzamide
CID 111433560
4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide
CID 82990994
N-(3-amino-2-methylpropyl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 119995566
4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide
CID 9160811
4-(cyclopropylamino)-N-[(1-hydroxycyclohexyl)methyl]-3-nitrobenzamide
CID 111485738
4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7923143
4-(cyclopropylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-3-nitrobenzamide
CID 33262710

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide?
The IUPAC name of 4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide (CID 82989614) is 4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide.
What is the SMILES notation for 4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide?
The canonical SMILES for 4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide is CCNC(=O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide?
The InChIKey is XCXNBCBMCJYKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-15-14(18)10-7-8-12(13(9-10)17(19)20)16-11-5-3-4-6-11/h7-9,11,16H,2-6H2,1H3,(H,15,18).
What are the key properties of 4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide?
4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide is sourced from PubChem (CID 82989614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).