CID 164582158

C19H24FN3O3 — CID 164582158

IUPAC—
SMILESC[C@@H](CO)CN1Cc2cc(F)ccc2C12CCC1(CC2)NC(=O)NC1=O
InChIInChI=1S/C19H24FN3O3/c1-12(11-24)9-23-10-13-8-14(20)2-3-15(13)19(23)6-4-18(5-7-19)16(25)21-17(26)22-18/h2-3,8,12,24H,4-7,9-11H2,1H3,(H2,21,22,25,26)/t12-,18?,19?/m1/s1
InChIKeyJTXWJHHKPSJDOX-PIHIASKNSA-N
MW361.42 g/mol
LogP1.62
Rot. Bonds3

About CID 164582158

CID 164582158 (PubChem CID 164582158) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol.

Molecular Properties

Compound NameCID 164582158
PubChem CID164582158
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name—
SMILESC[C@@H](CO)CN1Cc2cc(F)ccc2C12CCC1(CC2)NC(=O)NC1=O
InChIInChI=1S/C19H24FN3O3/c1-12(11-24)9-23-10-13-8-14(20)2-3-15(13)19(23)6-4-18(5-7-19)16(25)21-17(26)22-18/h2-3,8,12,24H,4-7,9-11H2,1H3,(H2,21,22,25,26)/t12-,18?,19?/m1/s1
InChIKeyJTXWJHHKPSJDOX-PIHIASKNSA-N
XLogP1.62
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 164582158 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 CID 164582158?
The IUPAC name of CID 164582158 (CID 164582158) is not available.
What is the SMILES notation for CID 164582158?
The canonical SMILES for CID 164582158 is C[C@@H](CO)CN1Cc2cc(F)ccc2C12CCC1(CC2)NC(=O)NC1=O.
What is the InChIKey of CID 164582158?
The InChIKey is JTXWJHHKPSJDOX-PIHIASKNSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-12(11-24)9-23-10-13-8-14(20)2-3-15(13)19(23)6-4-18(5-7-19)16(25)21-17(26)22-18/h2-3,8,12,24H,4-7,9-11H2,1H3,(H2,21,22,25,26)/t12-,18?,19?/m1/s1.
What are the key properties of CID 164582158?
CID 164582158 has a molecular weight of 361.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164582158 is sourced from PubChem (CID 164582158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).