2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid

C24H22Cl2N2O4 — CID 67999286

IUPAC2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid
SMILESO=C(O)C[C@H]1C[C@H](c2cccc(Cl)c2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)N(CC2CC2)C1=O
InChIInChI=1S/C24H22Cl2N2O4/c25-16-3-1-2-14(8-16)19-9-15(10-21(29)30)22(31)28(12-13-4-5-13)24(19)18-7-6-17(26)11-20(18)27-23(24)32/h1-3,6-8,11,13,15,19H,4-5,9-10,12H2,(H,27,32)(H,29,30)/t15-,19-,24+/m1/s1
InChIKeyBJYAVSZQIJEQQR-JLCUDIMXSA-N
MW473.36 g/mol
LogP4.66
Rot. Bonds5

About 2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid

2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid (PubChem CID 67999286) has the molecular formula C24H22Cl2N2O4 and a molecular weight of 473.36 g/mol. Its IUPAC name is 2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid
PubChem CID67999286
Molecular FormulaC24H22Cl2N2O4
Molecular Weight473.36 g/mol
Exact Mass472.10
IUPAC Name2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid
SMILESO=C(O)C[C@H]1C[C@H](c2cccc(Cl)c2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)N(CC2CC2)C1=O
InChIInChI=1S/C24H22Cl2N2O4/c25-16-3-1-2-14(8-16)19-9-15(10-21(29)30)22(31)28(12-13-4-5-13)24(19)18-7-6-17(26)11-20(18)27-23(24)32/h1-3,6-8,11,13,15,19H,4-5,9-10,12H2,(H,27,32)(H,29,30)/t15-,19-,24+/m1/s1
InChIKeyBJYAVSZQIJEQQR-JLCUDIMXSA-N
XLogP4.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid?
The IUPAC name of 2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid (CID 67999286) is 2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid.
What is the SMILES notation for 2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid?
The canonical SMILES for 2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid is O=C(O)C[C@H]1C[C@H](c2cccc(Cl)c2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)N(CC2CC2)C1=O.
What is the InChIKey of 2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid?
The InChIKey is BJYAVSZQIJEQQR-JLCUDIMXSA-N. The full InChI is InChI=1S/C24H22Cl2N2O4/c25-16-3-1-2-14(8-16)19-9-15(10-21(29)30)22(31)28(12-13-4-5-13)24(19)18-7-6-17(26)11-20(18)27-23(24)32/h1-3,6-8,11,13,15,19H,4-5,9-10,12H2,(H,27,32)(H,29,30)/t15-,19-,24+/m1/s1.
What are the key properties of 2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid?
2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid has a molecular weight of 473.36 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid is sourced from PubChem (CID 67999286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).