N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide

C14H16N2O3 — CID 11630293

IUPACN-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide
SMILESO=C(NC1C[C@@H]2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H16N2O3/c17-14(10-3-5-12(6-4-10)16(18)19)15-13-8-9-1-2-11(13)7-9/h3-6,9,11,13H,1-2,7-8H2,(H,15,17)/t9-,11+,13?/m1/s1
InChIKeyFIAPPNUXSAQKTO-PPHWZAGGSA-N
MW260.29 g/mol
LogP2.51
Rot. Bonds3

About N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide

N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide (PubChem CID 11630293) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide
PubChem CID11630293
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide
SMILESO=C(NC1C[C@@H]2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H16N2O3/c17-14(10-3-5-12(6-4-10)16(18)19)15-13-8-9-1-2-11(13)7-9/h3-6,9,11,13H,1-2,7-8H2,(H,15,17)/t9-,11+,13?/m1/s1
InChIKeyFIAPPNUXSAQKTO-PPHWZAGGSA-N
XLogP2.51
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.51
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'}

Analyze N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-nitrobenzamide
CID 11892754
2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-4-nitrobenzoic acid
CID 126384634
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
CID 102851737
N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide
CID 95562447
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide
CID 50975798
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-4-nitrobenzamide
CID 7104045
4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide
CID 107075411
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-nitrobenzamide
CID 11471353
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide?
The IUPAC name of N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide (CID 11630293) is N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide.
What is the SMILES notation for N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide?
The canonical SMILES for N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide is O=C(NC1C[C@@H]2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide?
The InChIKey is FIAPPNUXSAQKTO-PPHWZAGGSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-14(10-3-5-12(6-4-10)16(18)19)15-13-8-9-1-2-11(13)7-9/h3-6,9,11,13H,1-2,7-8H2,(H,15,17)/t9-,11+,13?/m1/s1.
What are the key properties of N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide?
N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide has a molecular weight of 260.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide is sourced from PubChem (CID 11630293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).