(1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide

C20H20N2O3 — CID 7375073

IUPAC(1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])C1[C@H]2CCC[C@H]1C2c1ccccc1
InChIInChI=1S/C20H20N2O3/c23-20(21-16-11-4-5-12-17(16)22(24)25)19-14-9-6-10-15(19)18(14)13-7-2-1-3-8-13/h1-5,7-8,11-12,14-15,18-19H,6,9-10H2,(H,21,23)/t14-,15-,18?,19?/m0/s1
InChIKeyWCCLSRPUKLQPQP-GKVPXEHWSA-N
MW336.39 g/mol
LogP4.36
Rot. Bonds4

About (1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide

(1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 7375073) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
PubChem CID7375073
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])C1[C@H]2CCC[C@H]1C2c1ccccc1
InChIInChI=1S/C20H20N2O3/c23-20(21-16-11-4-5-12-17(16)22(24)25)19-14-9-6-10-15(19)18(14)13-7-2-1-3-8-13/h1-5,7-8,11-12,14-15,18-19H,6,9-10H2,(H,21,23)/t14-,15-,18?,19?/m0/s1
InChIKeyWCCLSRPUKLQPQP-GKVPXEHWSA-N
XLogP4.36
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.36
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

(1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 7375079
N-(2-nitrophenyl)oxolane-2-carboxamide
CID 5093204
(1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7070939
2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide
CID 54917838
7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 3264055
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 76872950
1-(2-nitrophenyl)-3-phenylurea
CID 4109613
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671
(1S,8S,9S,14S,15S)-N-(2-nitrophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaene-15-carboxamide
CID 11911328
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 7717359
N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 2877363

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of (1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide (CID 7375073) is (1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for (1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for (1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])C1[C@H]2CCC[C@H]1C2c1ccccc1.
What is the InChIKey of (1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is WCCLSRPUKLQPQP-GKVPXEHWSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-20(21-16-11-4-5-12-17(16)22(24)25)19-14-9-6-10-15(19)18(14)13-7-2-1-3-8-13/h1-5,7-8,11-12,14-15,18-19H,6,9-10H2,(H,21,23)/t14-,15-,18?,19?/m0/s1.
What are the key properties of (1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
(1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 7375073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).