(2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide

C30H29Cl2FN4O3 — CID 67376770

IUPAC(2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESCC(C)(C)C[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)[C@H](c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C30H29Cl2FN4O3/c1-29(2,3)14-17-15-37(28(40)35-19-10-7-16(8-11-19)26(34)38)25(20-5-4-6-22(32)24(20)33)30(17)21-12-9-18(31)13-23(21)36-27(30)39/h4-13,17,25H,14-15H2,1-3H3,(H2,34,38)(H,35,40)(H,36,39)/t17-,25-,30?/m1/s1
InChIKeyXMHHLFBTXAJVCR-UMASDGQXSA-N
MW583.49 g/mol
LogP6.76
Rot. Bonds4

About (2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide

(2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide (PubChem CID 67376770) has the molecular formula C30H29Cl2FN4O3 and a molecular weight of 583.49 g/mol. Its IUPAC name is (2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name(2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
PubChem CID67376770
Molecular FormulaC30H29Cl2FN4O3
Molecular Weight583.49 g/mol
Exact Mass582.16
IUPAC Name(2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESCC(C)(C)C[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)[C@H](c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C30H29Cl2FN4O3/c1-29(2,3)14-17-15-37(28(40)35-19-10-7-16(8-11-19)26(34)38)25(20-5-4-6-22(32)24(20)33)30(17)21-12-9-18(31)13-23(21)36-27(30)39/h4-13,17,25H,14-15H2,1-3H3,(H2,34,38)(H,35,40)(H,36,39)/t17-,25-,30?/m1/s1
InChIKeyXMHHLFBTXAJVCR-UMASDGQXSA-N
XLogP6.76
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.49
LogP ≤ 56.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide 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

(2'S,3S,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 58398994
(1'R,2'S,3R,4'S)-N-[4-(3-amino-3-oxopropyl)phenyl]-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxamide
CID 58286369
3-[[(2S,3S,4S)-2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-3-cyano-4-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 51354449
(2'R,3'R,5'S)-N-(3-carbamoylphenyl)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 67227479
ethyl (1'S,2'S,3S,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-cyclopentane]-1'-carboxylate
CID 71567994
N-(4-carbamoyl-2-fluorophenyl)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 75986021
(2'R,3R,3'R,5'S)-N-(4-carbamoyl-2-methoxyphenyl)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 154731716
methyl 4-[[(2S,3S,4S)-2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-3-cyano-4-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]amino]-2-methoxybenzoate
CID 51357251
(2'R,4'S)-6-chloro-2'-(3-chlorophenyl)-N-[(3S)-3,4-dihydroxybutyl]-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 67377291
[(2'R,3R,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-yl] N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate
CID 118113690
4-[[(2S,3R,4S)-4-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-3-cyano-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 51355587
2-[4-[[(2'R,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbonyl]amino]phenyl]acetic acid
CID 66625294

Frequently Asked Questions

What is the IUPAC name of (2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of (2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide (CID 67376770) is (2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for (2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for (2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide is CC(C)(C)C[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)[C@H](c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of (2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is XMHHLFBTXAJVCR-UMASDGQXSA-N. The full InChI is InChI=1S/C30H29Cl2FN4O3/c1-29(2,3)14-17-15-37(28(40)35-19-10-7-16(8-11-19)26(34)38)25(20-5-4-6-22(32)24(20)33)30(17)21-12-9-18(31)13-23(21)36-27(30)39/h4-13,17,25H,14-15H2,1-3H3,(H2,34,38)(H,35,40)(H,36,39)/t17-,25-,30?/m1/s1.
What are the key properties of (2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
(2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 583.49 g/mol, XLogP of 6.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,4'S)-N-(4-carbamoylphenyl)-6-chloro-2'-(3-chloro-2-fluorophenyl)-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 67376770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).