(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

C23H20N2O3 — CID 11911328

IUPAC(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
SMILESO=C(Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]2c3ccccc3[C@H]1[C@H]1C=CC=C[C@@H]12
InChIInChI=1S/C23H20N2O3/c26-23(24-20-11-5-6-12-21(20)25(27)28)19-13-18-14-7-1-3-9-16(14)22(19)17-10-4-2-8-15(17)18/h1-12,14,16,18-19,22H,13H2,(H,24,26)/t14-,16-,18-,19-,22+/m0/s1
InChIKeyKXQNDNYZTSBGGU-ZBMDRZHOSA-N
MW372.42 g/mol
LogP4.79
Rot. Bonds3

About (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

(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 (PubChem CID 11911328) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11911328
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name(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
SMILESO=C(Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]2c3ccccc3[C@H]1[C@H]1C=CC=C[C@@H]12
InChIInChI=1S/C23H20N2O3/c26-23(24-20-11-5-6-12-21(20)25(27)28)19-13-18-14-7-1-3-9-16(14)22(19)17-10-4-2-8-15(17)18/h1-12,14,16,18-19,22H,13H2,(H,24,26)/t14-,16-,18-,19-,22+/m0/s1
InChIKeyKXQNDNYZTSBGGU-ZBMDRZHOSA-N
XLogP4.79
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.79
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 (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 with MolForge

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Related Compounds

piperidin-1-yl-[(1S,8R,9S,14S,15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,10,12-pentaenyl]methanone
CID 18556094
(1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
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(1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide
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(1S,2S)-2-N-(2-nitrophenyl)-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide
CID 7070884
(1R,2S)-2-N-(2-nitrophenyl)-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide
CID 7070883
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CID 5093204
trans-[2-(2-nitroanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 7778509
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CID 5118632
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CID 76872950
2-[cyclopropyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
CID 60833248
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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]2c3ccccc3[C@H]1[C@H]1C=CC=C[C@@H]12.
What is the InChIKey of (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?
The InChIKey is KXQNDNYZTSBGGU-ZBMDRZHOSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-23(24-20-11-5-6-12-21(20)25(27)28)19-13-18-14-7-1-3-9-16(14)22(19)17-10-4-2-8-15(17)18/h1-12,14,16,18-19,22H,13H2,(H,24,26)/t14-,16-,18-,19-,22+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 372.42 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 11911328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).