[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate

C18H17FN2O3 — CID 153315365

IUPAC[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate
SMILESCc1cc(NC(=O)c2cccc3c2CC[C@@H]3OC(N)=O)ccc1F
InChIInChI=1S/C18H17FN2O3/c1-10-9-11(5-7-15(10)19)21-17(22)14-4-2-3-13-12(14)6-8-16(13)24-18(20)23/h2-5,7,9,16H,6,8H2,1H3,(H2,20,23)(H,21,22)/t16-/m0/s1
InChIKeyLEHUBJDDKOUVJG-INIZCTEOSA-N
MW328.34 g/mol
LogP3.47
Rot. Bonds3

About [(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate

[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate (PubChem CID 153315365) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is [(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate.

Molecular Properties

Compound Name[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate
PubChem CID153315365
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate
SMILESCc1cc(NC(=O)c2cccc3c2CC[C@@H]3OC(N)=O)ccc1F
InChIInChI=1S/C18H17FN2O3/c1-10-9-11(5-7-15(10)19)21-17(22)14-4-2-3-13-12(14)6-8-16(13)24-18(20)23/h2-5,7,9,16H,6,8H2,1H3,(H2,20,23)(H,21,22)/t16-/m0/s1
InChIKeyLEHUBJDDKOUVJG-INIZCTEOSA-N
XLogP3.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142433440
3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide
CID 62811033
(1S)-1-[[(S)-tert-butylsulfinyl]amino]-N-(3,4-difluorophenyl)-2,3-dihydro-1H-indene-4-carboxamide
CID 142433432
tert-butyl-[[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]amino]-oxidosulfanium
CID 174143013
(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide
CID 151604410
4-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromene-8-carboxamide
CID 134348372
3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
CID 62812413
2-amino-N-(4-fluoro-3-methylphenyl)-6-methylbenzamide
CID 55119448
N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566409
5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
CID 62812532
2-amino-N-(4-fluoro-3-methylphenyl)-5-hydroxybenzamide
CID 107075174
N-(4-fluoro-3-methylphenyl)-3,5-dihydroxybenzamide
CID 104938981

Frequently Asked Questions

What is the IUPAC name of [(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate?
The IUPAC name of [(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate (CID 153315365) is [(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate.
What is the SMILES notation for [(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate?
The canonical SMILES for [(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate is Cc1cc(NC(=O)c2cccc3c2CC[C@@H]3OC(N)=O)ccc1F.
What is the InChIKey of [(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate?
The InChIKey is LEHUBJDDKOUVJG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-10-9-11(5-7-15(10)19)21-17(22)14-4-2-3-13-12(14)6-8-16(13)24-18(20)23/h2-5,7,9,16H,6,8H2,1H3,(H2,20,23)(H,21,22)/t16-/m0/s1.
What are the key properties of [(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate?
[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate has a molecular weight of 328.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate is sourced from PubChem (CID 153315365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).