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

C19H18ClFN2O4 — CID 142433551

IUPACmethyl N-[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCOC(=O)N[C@@H]1c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2C[C@H]1OC
InChIInChI=1S/C19H18ClFN2O4/c1-26-16-9-13-11(17(16)23-19(25)27-2)4-3-5-12(13)18(24)22-10-6-7-15(21)14(20)8-10/h3-8,16-17H,9H2,1-2H3,(H,22,24)(H,23,25)/t16-,17-/m1/s1
InChIKeyIWSLFXQJYFKLSK-IAGOWNOFSA-N
MW392.81 g/mol
LogP3.70
Rot. Bonds4

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

methyl N-[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 142433551) has the molecular formula C19H18ClFN2O4 and a molecular weight of 392.81 g/mol. Its IUPAC name is methyl N-[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID142433551
Molecular FormulaC19H18ClFN2O4
Molecular Weight392.81 g/mol
Exact Mass392.09
IUPAC Namemethyl N-[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCOC(=O)N[C@@H]1c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2C[C@H]1OC
InChIInChI=1S/C19H18ClFN2O4/c1-26-16-9-13-11(17(16)23-19(25)27-2)4-3-5-12(13)18(24)22-10-6-7-15(21)14(20)8-10/h3-8,16-17H,9H2,1-2H3,(H,22,24)(H,23,25)/t16-,17-/m1/s1
InChIKeyIWSLFXQJYFKLSK-IAGOWNOFSA-N
XLogP3.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 154032167
N-(3-chloro-4-fluorophenyl)-2-methoxy-2,3-dihydro-1H-indene-4-carboxamide
CID 142433532
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
methyl N-[(4S)-8-[(3-chloro-4-fluorophenyl)carbamoyl]-5-fluoro-3,4-dihydro-2H-thiochromen-4-yl]carbamate
CID 139340173
tert-butyl-[[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]amino]-oxidosulfanium
CID 174143013
methyl N-[(4R)-8-[(3-chloro-4-fluorophenyl)carbamoyl]-5-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 139340231
(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide
CID 151604410
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-2-iodobenzamide
CID 615783
3-amino-N-(3,4-difluorophenyl)-2,3-dihydro-1-benzothiophene-7-carboxamide;methyl carbonochloridate;methyl N-[7-[(3,4-difluorophenyl)carbamoyl]-2,3-dihydro-1-benzothiophen-3-yl]carbamate
CID 159423887
N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide
CID 142433558

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of methyl N-[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamate (CID 142433551) is methyl N-[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for methyl N-[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for methyl N-[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamate is COC(=O)N[C@@H]1c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2C[C@H]1OC.
What is the InChIKey of methyl N-[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is IWSLFXQJYFKLSK-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H18ClFN2O4/c1-26-16-9-13-11(17(16)23-19(25)27-2)4-3-5-12(13)18(24)22-10-6-7-15(21)14(20)8-10/h3-8,16-17H,9H2,1-2H3,(H,22,24)(H,23,25)/t16-,17-/m1/s1.
What are the key properties of methyl N-[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamate?
methyl N-[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 392.81 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1R,2R)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methoxy-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 142433551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).