methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate

C18H15ClF2N2O3 — CID 142433544

IUPACmethyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCOC(=O)N[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21
InChIInChI=1S/C18H15ClF2N2O3/c1-26-18(25)23-15-7-4-10-11(3-6-14(21)16(10)15)17(24)22-9-2-5-13(20)12(19)8-9/h2-3,5-6,8,15H,4,7H2,1H3,(H,22,24)(H,23,25)/t15-/m0/s1
InChIKeyZNJXTDOYQXRFTM-HNNXBMFYSA-N
MW380.78 g/mol
LogP4.21
Rot. Bonds3

About methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate

methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 142433544) has the molecular formula C18H15ClF2N2O3 and a molecular weight of 380.78 g/mol. Its IUPAC name is methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID142433544
Molecular FormulaC18H15ClF2N2O3
Molecular Weight380.78 g/mol
Exact Mass380.07
IUPAC Namemethyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCOC(=O)N[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21
InChIInChI=1S/C18H15ClF2N2O3/c1-26-18(25)23-15-7-4-10-11(3-6-14(21)16(10)15)17(24)22-9-2-5-13(20)12(19)8-9/h2-3,5-6,8,15H,4,7H2,1H3,(H,22,24)(H,23,25)/t15-/m0/s1
InChIKeyZNJXTDOYQXRFTM-HNNXBMFYSA-N
XLogP4.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.78
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate with MolForge

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Related Compounds

methyl N-[5-[[2-(4-chlorophenyl)-3,5-dimethylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate
CID 44361568
methyl N-[[5-[[2-(4-chlorophenyl)-3-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]methyl]carbamate
CID 10939283
methyl N-[(1S)-4-[(3,4-difluorophenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142433475
3-methoxypropyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142433536
2-acetamidoethyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142433539
2-methoxyethyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142433559
2-hydroxyethyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142433672
N-(3-Chloro-4-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
CID 46253516
N-(3-Chloro-4-fluorophenyl)-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide
CID 46256539
N-(3-Chloro-4-fluorophenyl)-2-ethyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
CID 46261896
N-(3-Chloro-4-fluorophenyl)-2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
CID 46253593
N-[4-[(E)-3-(4-chloroanilino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-2-yl]-4-fluorobenzamide
CID 21921190

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate (CID 142433544) is methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate is COC(=O)N[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21.
What is the InChIKey of methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is ZNJXTDOYQXRFTM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O3/c1-26-18(25)23-15-7-4-10-11(3-6-14(21)16(10)15)17(24)22-9-2-5-13(20)12(19)8-9/h2-3,5-6,8,15H,4,7H2,1H3,(H,22,24)(H,23,25)/t15-/m0/s1.
What are the key properties of methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate?
methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 380.78 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 142433544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).