N-[3-[[(1S,2S)-5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide

C21H23ClN2O2 — CID 58393559

IUPACN-[3-[[(1S,2S)-5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(O[C@H]2c3ccc(Cl)cc3C[C@@H]2N2CCCC2)c1
InChIInChI=1S/C21H23ClN2O2/c1-14(25)23-17-5-4-6-18(13-17)26-21-19-8-7-16(22)11-15(19)12-20(21)24-9-2-3-10-24/h4-8,11,13,20-21H,2-3,9-10,12H2,1H3,(H,23,25)/t20-,21-/m0/s1
InChIKeyKJTWDHDQWGBMKY-SFTDATJTSA-N
MW370.88 g/mol
LogP4.44
Rot. Bonds4

About N-[3-[[(1S,2S)-5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide

N-[3-[[(1S,2S)-5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide (PubChem CID 58393559) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[3-[[(1S,2S)-5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(1S,2S)-5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
PubChem CID58393559
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-[3-[[(1S,2S)-5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(O[C@H]2c3ccc(Cl)cc3C[C@@H]2N2CCCC2)c1
InChIInChI=1S/C21H23ClN2O2/c1-14(25)23-17-5-4-6-18(13-17)26-21-19-8-7-16(22)11-15(19)12-20(21)24-9-2-3-10-24/h4-8,11,13,20-21H,2-3,9-10,12H2,1H3,(H,23,25)/t20-,21-/m0/s1
InChIKeyKJTWDHDQWGBMKY-SFTDATJTSA-N
XLogP4.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide
CID 58394230
N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide
CID 26189302
N-[3-(azetidin-3-yloxy)phenyl]acetamide
CID 53410782
1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine
CID 90369189
4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063683
(3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727099
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
(4-chlorophenyl) 3-acetamidobenzoate
CID 47098149
(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 7698294
N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide
CID 43752163
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1S,2S)-5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The IUPAC name of N-[3-[[(1S,2S)-5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide (CID 58393559) is N-[3-[[(1S,2S)-5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(1S,2S)-5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The canonical SMILES for N-[3-[[(1S,2S)-5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide is CC(=O)Nc1cccc(O[C@H]2c3ccc(Cl)cc3C[C@@H]2N2CCCC2)c1.
What is the InChIKey of N-[3-[[(1S,2S)-5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The InChIKey is KJTWDHDQWGBMKY-SFTDATJTSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-14(25)23-17-5-4-6-18(13-17)26-21-19-8-7-16(22)11-15(19)12-20(21)24-9-2-3-10-24/h4-8,11,13,20-21H,2-3,9-10,12H2,1H3,(H,23,25)/t20-,21-/m0/s1.
What are the key properties of N-[3-[[(1S,2S)-5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
N-[3-[[(1S,2S)-5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide has a molecular weight of 370.88 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1S,2S)-5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 58393559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).