2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide

C15H19BrN2O3 — CID 103766411

IUPAC2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide
SMILESCCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)CCCC1
InChIInChI=1S/C15H19BrN2O3/c1-2-15(7-3-4-8-15)10-17-14(19)12-9-11(18(20)21)5-6-13(12)16/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,19)
InChIKeyPDONHYCHSTXPSL-UHFFFAOYSA-N
MW355.23 g/mol
LogP4.06
Rot. Bonds5

About 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide

2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide (PubChem CID 103766411) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide
PubChem CID103766411
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide
SMILESCCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)CCCC1
InChIInChI=1S/C15H19BrN2O3/c1-2-15(7-3-4-8-15)10-17-14(19)12-9-11(18(20)21)5-6-13(12)16/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,19)
InChIKeyPDONHYCHSTXPSL-UHFFFAOYSA-N
XLogP4.06
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63823221
N-[(1-ethylcyclobutyl)methyl]-2-(methylamino)-5-nitrobenzamide
CID 103741365
2-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]-5-nitrobenzamide
CID 107271630
2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide
CID 114125614
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-nitrobenzamide
CID 103741437
2-bromo-5-nitro-N-octylbenzamide
CID 115567380
2-chloro-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63821949
2-bromo-5-nitro-N-[2-(propylamino)ethyl]benzamide
CID 62657860
2-bromo-N-(2-methoxypropyl)-5-nitrobenzamide
CID 102697779
2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide
CID 103816659
2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide
CID 114107082
2-bromo-N-(2-hydroxy-4-methylpentyl)-5-nitrobenzamide
CID 107151855

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide?
The IUPAC name of 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide (CID 103766411) is 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide.
What is the SMILES notation for 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide?
The canonical SMILES for 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide is CCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)CCCC1.
What is the InChIKey of 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide?
The InChIKey is PDONHYCHSTXPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-2-15(7-3-4-8-15)10-17-14(19)12-9-11(18(20)21)5-6-13(12)16/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,19).
What are the key properties of 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide?
2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide has a molecular weight of 355.23 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide is sourced from PubChem (CID 103766411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).