N-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-2,7-diazaspiro[3.4]octane-2-carboxamide

C20H21FN4O2 — CID 146183716

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-2,7-diazaspiro[3.4]octane-2-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)N1CC2(CCN(C=O)C2)C1
InChIInChI=1S/C20H21FN4O2/c21-16-4-1-14(2-5-16)15-3-6-17(22)18(9-15)23-19(27)25-11-20(12-25)7-8-24(10-20)13-26/h1-6,9,13H,7-8,10-12,22H2,(H,23,27)
InChIKeyWGJJVASNFWTCNP-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.77
Rot. Bonds3

About N-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-2,7-diazaspiro[3.4]octane-2-carboxamide

N-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-2,7-diazaspiro[3.4]octane-2-carboxamide (PubChem CID 146183716) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-2,7-diazaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-2,7-diazaspiro[3.4]octane-2-carboxamide
PubChem CID146183716
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-2,7-diazaspiro[3.4]octane-2-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)N1CC2(CCN(C=O)C2)C1
InChIInChI=1S/C20H21FN4O2/c21-16-4-1-14(2-5-16)15-3-6-17(22)18(9-15)23-19(27)25-11-20(12-25)7-8-24(10-20)13-26/h1-6,9,13H,7-8,10-12,22H2,(H,23,27)
InChIKeyWGJJVASNFWTCNP-UHFFFAOYSA-N
XLogP2.77
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-5-(4-fluorophenyl)phenyl]-8-formyl-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
CID 135209736
tert-butyl 2-[[2-amino-5-(4-methylphenyl)phenyl]carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 161235049
1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide
CID 89183109
3-(1-acetylpiperidin-4-yl)-N-[2-amino-5-(4-fluorophenyl)phenyl]prop-2-enamide
CID 123640632
9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 24744160
9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 68901246
N-[2-amino-5-(4-fluorophenyl)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 59737230
2-(4-fluorophenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 134073071
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(methylsulfonimidoyl)benzamide
CID 167993671
N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide
CID 69203446
cyclopropyl 2-[[2-amino-5-(4-methylphenyl)phenyl]carbamoyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 158102281
N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide
CID 168913880

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-2,7-diazaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-2,7-diazaspiro[3.4]octane-2-carboxamide (CID 146183716) is N-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-2,7-diazaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-2,7-diazaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-2,7-diazaspiro[3.4]octane-2-carboxamide is Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)N1CC2(CCN(C=O)C2)C1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-2,7-diazaspiro[3.4]octane-2-carboxamide?
The InChIKey is WGJJVASNFWTCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-16-4-1-14(2-5-16)15-3-6-17(22)18(9-15)23-19(27)25-11-20(12-25)7-8-24(10-20)13-26/h1-6,9,13H,7-8,10-12,22H2,(H,23,27).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-2,7-diazaspiro[3.4]octane-2-carboxamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-2,7-diazaspiro[3.4]octane-2-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-7-formyl-2,7-diazaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 146183716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).