(2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole

C18H18F2N2O4 — CID 34598561

IUPAC(2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole
SMILESCOc1cc(CN2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F
InChIInChI=1S/C18H18F2N2O4/c1-11-7-12-5-3-4-6-14(12)21(11)10-13-8-16(25-2)17(26-18(19)20)9-15(13)22(23)24/h3-6,8-9,11,18H,7,10H2,1-2H3/t11-/m0/s1
InChIKeyXQDSPXGWQKEQAC-NSHDSACASA-N
MW364.35 g/mol
LogP4.16
Rot. Bonds6

About (2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole

(2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole (PubChem CID 34598561) has the molecular formula C18H18F2N2O4 and a molecular weight of 364.35 g/mol. Its IUPAC name is (2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole
PubChem CID34598561
Molecular FormulaC18H18F2N2O4
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Name(2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole
SMILESCOc1cc(CN2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F
InChIInChI=1S/C18H18F2N2O4/c1-11-7-12-5-3-4-6-14(12)21(11)10-13-8-16(25-2)17(26-18(19)20)9-15(13)22(23)24/h3-6,8-9,11,18H,7,10H2,1-2H3/t11-/m0/s1
InChIKeyXQDSPXGWQKEQAC-NSHDSACASA-N
XLogP4.16
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole 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-[4-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]piperazin-1-yl]-N-phenylacetamide
CID 31694598
4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol
CID 104667249
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56560432
1-(azepan-1-yl)-2-[4-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]piperazin-1-yl]ethanone
CID 55470385
1-benzyl-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine
CID 1376883
[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate
CID 17476378
[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 55473263
2-methoxy-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzonitrile
CID 106787973
1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 6975714
3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 25336487
(2S)-1-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40954492
1-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperidine
CID 783473

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole?
The IUPAC name of (2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole (CID 34598561) is (2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for (2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for (2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole is COc1cc(CN2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F.
What is the InChIKey of (2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole?
The InChIKey is XQDSPXGWQKEQAC-NSHDSACASA-N. The full InChI is InChI=1S/C18H18F2N2O4/c1-11-7-12-5-3-4-6-14(12)21(11)10-13-8-16(25-2)17(26-18(19)20)9-15(13)22(23)24/h3-6,8-9,11,18H,7,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole?
(2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole has a molecular weight of 364.35 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 34598561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).