CID 118458373

C32H34Cl2FN3O4 — CID 118458373

IUPAC—
SMILESO=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
InChIInChI=1S/C32H34Cl2FN3O4/c33-18-7-8-20-22(17-18)36-27(40)32(20)23(19-5-4-6-21(34)24(19)35)25(37-31(32)9-2-1-3-10-31)26(39)38-30-14-11-29(12-15-30,13-16-30)28(41)42/h4-8,17,23,25,37H,1-3,9-16H2,(H,36,40)(H,38,39)(H,41,42)/t23-,25+,29?,30?,32+/m0/s1
InChIKeyGFHXXZFENCYUAR-KIPSGEISSA-N
MW614.55 g/mol
LogP6.07
Rot. Bonds4

About CID 118458373

CID 118458373 (PubChem CID 118458373) has the molecular formula C32H34Cl2FN3O4 and a molecular weight of 614.55 g/mol.

Molecular Properties

Compound NameCID 118458373
PubChem CID118458373
Molecular FormulaC32H34Cl2FN3O4
Molecular Weight614.55 g/mol
Exact Mass613.19
IUPAC Name—
SMILESO=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
InChIInChI=1S/C32H34Cl2FN3O4/c33-18-7-8-20-22(17-18)36-27(40)32(20)23(19-5-4-6-21(34)24(19)35)25(37-31(32)9-2-1-3-10-31)26(39)38-30-14-11-29(12-15-30,13-16-30)28(41)42/h4-8,17,23,25,37H,1-3,9-16H2,(H,36,40)(H,38,39)(H,41,42)/t23-,25+,29?,30?,32+/m0/s1
InChIKeyGFHXXZFENCYUAR-KIPSGEISSA-N
XLogP6.07
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.55
LogP ≤ 56.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze CID 118458373 with MolForge

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

Launch Full Analysis

Related Compounds

CID 166903781
CID 166903781
CID 154010944
CID 154010944
CID 176612343
CID 176612343
(S,R,S)-MI-1061
CID 71020672
CID 71465717
CID 71465717
CID 130368951
CID 130368951
CID 155469360
CID 155469360
CID 71020646
CID 71020646
CID 71023224
CID 71023224
CID 171053366
CID 171053366
CID 158317809
CID 158317809
CID 146505136
CID 146505136

Frequently Asked Questions

What is the IUPAC name of CID 118458373?
The IUPAC name of CID 118458373 (CID 118458373) is not available.
What is the SMILES notation for CID 118458373?
The canonical SMILES for CID 118458373 is O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F.
What is the InChIKey of CID 118458373?
The InChIKey is GFHXXZFENCYUAR-KIPSGEISSA-N. The full InChI is InChI=1S/C32H34Cl2FN3O4/c33-18-7-8-20-22(17-18)36-27(40)32(20)23(19-5-4-6-21(34)24(19)35)25(37-31(32)9-2-1-3-10-31)26(39)38-30-14-11-29(12-15-30,13-16-30)28(41)42/h4-8,17,23,25,37H,1-3,9-16H2,(H,36,40)(H,38,39)(H,41,42)/t23-,25+,29?,30?,32+/m0/s1.
What are the key properties of CID 118458373?
CID 118458373 has a molecular weight of 614.55 g/mol, XLogP of 6.07, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118458373 is sourced from PubChem (CID 118458373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).