N-[2-amino-5-(2-fluorophenyl)phenyl]-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide

C28H29FN4O2 — CID 25218561

IUPACN-[2-amino-5-(2-fluorophenyl)phenyl]-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide
SMILESNc1ccc(-c2ccccc2F)cc1NC(=O)c1ccc(C(=O)N2CCC3(CCCN3)CC2)cc1
InChIInChI=1S/C28H29FN4O2/c29-23-5-2-1-4-22(23)21-10-11-24(30)25(18-21)32-26(34)19-6-8-20(9-7-19)27(35)33-16-13-28(14-17-33)12-3-15-31-28/h1-2,4-11,18,31H,3,12-17,30H2,(H,32,34)
InChIKeyTYKXYCJXHZGPIA-UHFFFAOYSA-N
MW472.56 g/mol
LogP4.69
Rot. Bonds4

About N-[2-amino-5-(2-fluorophenyl)phenyl]-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide

N-[2-amino-5-(2-fluorophenyl)phenyl]-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide (PubChem CID 25218561) has the molecular formula C28H29FN4O2 and a molecular weight of 472.56 g/mol. Its IUPAC name is N-[2-amino-5-(2-fluorophenyl)phenyl]-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(2-fluorophenyl)phenyl]-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide
PubChem CID25218561
Molecular FormulaC28H29FN4O2
Molecular Weight472.56 g/mol
Exact Mass472.23
IUPAC NameN-[2-amino-5-(2-fluorophenyl)phenyl]-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide
SMILESNc1ccc(-c2ccccc2F)cc1NC(=O)c1ccc(C(=O)N2CCC3(CCCN3)CC2)cc1
InChIInChI=1S/C28H29FN4O2/c29-23-5-2-1-4-22(23)21-10-11-24(30)25(18-21)32-26(34)19-6-8-20(9-7-19)27(35)33-16-13-28(14-17-33)12-3-15-31-28/h1-2,4-11,18,31H,3,12-17,30H2,(H,32,34)
InChIKeyTYKXYCJXHZGPIA-UHFFFAOYSA-N
XLogP4.69
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(2-fluorophenyl)phenyl]-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide?
The IUPAC name of N-[2-amino-5-(2-fluorophenyl)phenyl]-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide (CID 25218561) is N-[2-amino-5-(2-fluorophenyl)phenyl]-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide.
What is the SMILES notation for N-[2-amino-5-(2-fluorophenyl)phenyl]-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide?
The canonical SMILES for N-[2-amino-5-(2-fluorophenyl)phenyl]-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide is Nc1ccc(-c2ccccc2F)cc1NC(=O)c1ccc(C(=O)N2CCC3(CCCN3)CC2)cc1.
What is the InChIKey of N-[2-amino-5-(2-fluorophenyl)phenyl]-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide?
The InChIKey is TYKXYCJXHZGPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O2/c29-23-5-2-1-4-22(23)21-10-11-24(30)25(18-21)32-26(34)19-6-8-20(9-7-19)27(35)33-16-13-28(14-17-33)12-3-15-31-28/h1-2,4-11,18,31H,3,12-17,30H2,(H,32,34).
What are the key properties of N-[2-amino-5-(2-fluorophenyl)phenyl]-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide?
N-[2-amino-5-(2-fluorophenyl)phenyl]-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide has a molecular weight of 472.56 g/mol, XLogP of 4.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(2-fluorophenyl)phenyl]-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide is sourced from PubChem (CID 25218561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).