15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C32H24FN5O4 — CID 143085207

IUPAC15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC(=O)NC1(C(=O)Nc2ncc(-c3ccc(F)c4ccccc34)[nH]2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12
InChIInChI=1S/C32H24FN5O4/c1-18(39)37-31(17-32(38(41)42)24-12-6-4-10-22(24)28(31)23-11-5-7-13-25(23)32)29(40)36-30-34-16-27(35-30)21-14-15-26(33)20-9-3-2-8-19(20)21/h2-16,28H,17H2,1H3,(H,37,39)(H2,34,35,36,40)
InChIKeyKYINMQKUQMFSJI-UHFFFAOYSA-N
MW561.57 g/mol
LogP5.25
Rot. Bonds5

About 15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 143085207) has the molecular formula C32H24FN5O4 and a molecular weight of 561.57 g/mol. Its IUPAC name is 15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID143085207
Molecular FormulaC32H24FN5O4
Molecular Weight561.57 g/mol
Exact Mass561.18
IUPAC Name15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC(=O)NC1(C(=O)Nc2ncc(-c3ccc(F)c4ccccc34)[nH]2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12
InChIInChI=1S/C32H24FN5O4/c1-18(39)37-31(17-32(38(41)42)24-12-6-4-10-22(24)28(31)23-11-5-7-13-25(23)32)29(40)36-30-34-16-27(35-30)21-14-15-26(33)20-9-3-2-8-19(20)21/h2-16,28H,17H2,1H3,(H,37,39)(H2,34,35,36,40)
InChIKeyKYINMQKUQMFSJI-UHFFFAOYSA-N
XLogP5.25
TPSA130.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.57
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of 15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 143085207) is 15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for 15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for 15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is CC(=O)NC1(C(=O)Nc2ncc(-c3ccc(F)c4ccccc34)[nH]2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.
What is the InChIKey of 15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is KYINMQKUQMFSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FN5O4/c1-18(39)37-31(17-32(38(41)42)24-12-6-4-10-22(24)28(31)23-11-5-7-13-25(23)32)29(40)36-30-34-16-27(35-30)21-14-15-26(33)20-9-3-2-8-19(20)21/h2-16,28H,17H2,1H3,(H,37,39)(H2,34,35,36,40).
What are the key properties of 15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 561.57 g/mol, XLogP of 5.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-acetamido-N-[5-(4-fluoronaphthalen-1-yl)-1H-imidazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 143085207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).