CID 164583195

C21H28FN3O4 — CID 164583195

IUPAC—
SMILESCOCc1cc2c(cc1F)CN(C[C@@H](C)CO)C21CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C21H28FN3O4/c1-13(11-26)9-25-10-14-8-17(22)15(12-29-2)7-16(14)21(25)5-3-20(4-6-21)18(27)23-19(28)24-20/h7-8,13,26H,3-6,9-12H2,1-2H3,(H2,23,24,27,28)/t13-,20?,21?/m1/s1
InChIKeySGCAFQZESMFWIY-ZJDGCUJOSA-N
MW405.47 g/mol
LogP1.76
Rot. Bonds5

About CID 164583195

CID 164583195 (PubChem CID 164583195) has the molecular formula C21H28FN3O4 and a molecular weight of 405.47 g/mol.

Molecular Properties

Compound NameCID 164583195
PubChem CID164583195
Molecular FormulaC21H28FN3O4
Molecular Weight405.47 g/mol
Exact Mass405.21
IUPAC Name—
SMILESCOCc1cc2c(cc1F)CN(C[C@@H](C)CO)C21CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C21H28FN3O4/c1-13(11-26)9-25-10-14-8-17(22)15(12-29-2)7-16(14)21(25)5-3-20(4-6-21)18(27)23-19(28)24-20/h7-8,13,26H,3-6,9-12H2,1-2H3,(H2,23,24,27,28)/t13-,20?,21?/m1/s1
InChIKeySGCAFQZESMFWIY-ZJDGCUJOSA-N
XLogP1.76
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

US20240299360, Example 65
CID 156822968
(5R)-5-(4-fluorophenyl)-5-[[6-(3-hydroxyprop-1-ynoxymethyl)-3-oxo-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
CID 58768593
CID 164582060
CID 164582060
CID 164582158
CID 164582158
1'-amino-6-fluoro-2-[(2R)-3-hydroxy-2-methylpropyl]-5-(methoxymethyl)spiro[1H-isoindole-3,4'-cyclohexane]-1'-carboxylic acid
CID 164582730
(5S)-5-cyclopropyl-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
CID 166705287
5-Cyclopropyl-2-hydroxy-5-[3-oxo-2-(phenylmethoxymethyl)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-4-one
CID 166705288
3-(1,3-Dihydro-2-benzofuran-5-ylmethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 146087833
(5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 156823286
CID 164582315
CID 164582315
5-Cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 166694038

Frequently Asked Questions

What is the IUPAC name of CID 164583195?
The IUPAC name of CID 164583195 (CID 164583195) is not available.
What is the SMILES notation for CID 164583195?
The canonical SMILES for CID 164583195 is COCc1cc2c(cc1F)CN(C[C@@H](C)CO)C21CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of CID 164583195?
The InChIKey is SGCAFQZESMFWIY-ZJDGCUJOSA-N. The full InChI is InChI=1S/C21H28FN3O4/c1-13(11-26)9-25-10-14-8-17(22)15(12-29-2)7-16(14)21(25)5-3-20(4-6-21)18(27)23-19(28)24-20/h7-8,13,26H,3-6,9-12H2,1-2H3,(H2,23,24,27,28)/t13-,20?,21?/m1/s1.
What are the key properties of CID 164583195?
CID 164583195 has a molecular weight of 405.47 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164583195 is sourced from PubChem (CID 164583195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).