N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide

C21H23FN2O3 — CID 94867044

IUPACN-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide
SMILESCOc1ccc2c(c1)CCN2C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1
InChIInChI=1S/C21H23FN2O3/c1-26-17-8-9-18-15(13-17)10-11-24(18)21(25)23-20(19-3-2-12-27-19)14-4-6-16(22)7-5-14/h4-9,13,19-20H,2-3,10-12H2,1H3,(H,23,25)/t19-,20+/m0/s1
InChIKeyXVNYPMRVYVBLQU-VQTJNVASSA-N
MW370.42 g/mol
LogP3.83
Rot. Bonds4

About N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide

N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide (PubChem CID 94867044) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide
PubChem CID94867044
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide
SMILESCOc1ccc2c(c1)CCN2C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1
InChIInChI=1S/C21H23FN2O3/c1-26-17-8-9-18-15(13-17)10-11-24(18)21(25)23-20(19-3-2-12-27-19)14-4-6-16(22)7-5-14/h4-9,13,19-20H,2-3,10-12H2,1H3,(H,23,25)/t19-,20+/m0/s1
InChIKeyXVNYPMRVYVBLQU-VQTJNVASSA-N
XLogP3.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide with MolForge

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Related Compounds

(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
CID 110714045
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide
CID 47859013
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 94666700
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 75416372
4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide
CID 60547818
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 60547934
1-[(3,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea
CID 60544021
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 38198162
1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481680
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 94633542
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-morpholin-4-ylbenzamide
CID 95047787

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide (CID 94867044) is N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide is COc1ccc2c(c1)CCN2C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide?
The InChIKey is XVNYPMRVYVBLQU-VQTJNVASSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-26-17-8-9-18-15(13-17)10-11-24(18)21(25)23-20(19-3-2-12-27-19)14-4-6-16(22)7-5-14/h4-9,13,19-20H,2-3,10-12H2,1H3,(H,23,25)/t19-,20+/m0/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide?
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 94867044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).