CID 170673466

C27H29Cl2FN2O3 — CID 170673466

IUPAC—
SMILESCOC(=O)[C@H]1C(c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)C2(CCC(C)(C)CC2)N1C
InChIInChI=1S/C27H29Cl2FN2O3/c1-25(2)10-12-26(13-11-25)27(17-9-8-15(28)14-19(17)31-24(27)34)20(22(32(26)3)23(33)35-4)16-6-5-7-18(29)21(16)30/h5-9,14,20,22H,10-13H2,1-4H3,(H,31,34)/t20?,22-,27-/m1/s1
InChIKeyHCHKNAVHGWZZDL-SXZOROPNSA-N
MW519.44 g/mol
LogP5.93
Rot. Bonds2

About CID 170673466

CID 170673466 (PubChem CID 170673466) has the molecular formula C27H29Cl2FN2O3 and a molecular weight of 519.44 g/mol.

Molecular Properties

Compound NameCID 170673466
PubChem CID170673466
Molecular FormulaC27H29Cl2FN2O3
Molecular Weight519.44 g/mol
Exact Mass518.15
IUPAC Name—
SMILESCOC(=O)[C@H]1C(c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)C2(CCC(C)(C)CC2)N1C
InChIInChI=1S/C27H29Cl2FN2O3/c1-25(2)10-12-26(13-11-25)27(17-9-8-15(28)14-19(17)31-24(27)34)20(22(32(26)3)23(33)35-4)16-6-5-7-18(29)21(16)30/h5-9,14,20,22H,10-13H2,1-4H3,(H,31,34)/t20?,22-,27-/m1/s1
InChIKeyHCHKNAVHGWZZDL-SXZOROPNSA-N
XLogP5.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.44
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 175866271
CID 175866271
CID 176612343
CID 176612343
methyl (2R,3S,4R)-3-(3-chloro-2-fluorophenyl)-4-[4-chloro-2-(methylamino)phenyl]-4-formyl-1,8,8-trimethyl-1-azaspiro[4.5]decane-2-carboxylate
CID 166752991
(2'R,3'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5',5'-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 71465785
CID 156860455
CID 156860455
CID 155469360
CID 155469360
CID 162164954
CID 162164954
CID 154010944
CID 154010944
CID 71023224
CID 71023224
tert-butyl (2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 56966570
CID 118458385
CID 118458385
CID 166753042
CID 166753042

Frequently Asked Questions

What is the IUPAC name of CID 170673466?
The IUPAC name of CID 170673466 (CID 170673466) is not available.
What is the SMILES notation for CID 170673466?
The canonical SMILES for CID 170673466 is COC(=O)[C@H]1C(c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)C2(CCC(C)(C)CC2)N1C.
What is the InChIKey of CID 170673466?
The InChIKey is HCHKNAVHGWZZDL-SXZOROPNSA-N. The full InChI is InChI=1S/C27H29Cl2FN2O3/c1-25(2)10-12-26(13-11-25)27(17-9-8-15(28)14-19(17)31-24(27)34)20(22(32(26)3)23(33)35-4)16-6-5-7-18(29)21(16)30/h5-9,14,20,22H,10-13H2,1-4H3,(H,31,34)/t20?,22-,27-/m1/s1.
What are the key properties of CID 170673466?
CID 170673466 has a molecular weight of 519.44 g/mol, XLogP of 5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170673466 is sourced from PubChem (CID 170673466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).