2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride

C18H20ClFN2O — CID 137441281

IUPAC2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride
SMILESC[C@@H]1c2ccccc2C[C@H]1NC(=O)C(N)c1ccc(F)cc1.Cl
InChIInChI=1S/C18H19FN2O.ClH/c1-11-15-5-3-2-4-13(15)10-16(11)21-18(22)17(20)12-6-8-14(19)9-7-12;/h2-9,11,16-17H,10,20H2,1H3,(H,21,22);1H/t11-,16-,17?;/m1./s1
InChIKeyMNYYRNXCIDAHHW-QNUUAJNISA-N
MW334.82 g/mol
LogP3.09
Rot. Bonds3

About 2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride

2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride (PubChem CID 137441281) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is 2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride
PubChem CID137441281
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC Name2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride
SMILESC[C@@H]1c2ccccc2C[C@H]1NC(=O)C(N)c1ccc(F)cc1.Cl
InChIInChI=1S/C18H19FN2O.ClH/c1-11-15-5-3-2-4-13(15)10-16(11)21-18(22)17(20)12-6-8-14(19)9-7-12;/h2-9,11,16-17H,10,20H2,1H3,(H,21,22);1H/t11-,16-,17?;/m1./s1
InChIKeyMNYYRNXCIDAHHW-QNUUAJNISA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide
CID 130277377
(2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide
CID 130277790
(2S)-N-[(1S,2S)-1-(2,2-difluoroethylamino)-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide
CID 137441352
2-amino-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 83533215
N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 137441255
2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide
CID 137441290
[(1S,2S)-2-[2-(4-fluorophenyl)butanoylamino]-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 137441238
[(1S,2S)-2-[[(2S)-2-(4-fluorophenyl)butanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 130277303
[(1S,2S)-2-[[2-cyclopropyl-2-(4-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 137441284
(2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 137441244
(2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide
CID 130277842
(2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide
CID 130277360

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride (CID 137441281) is 2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride is C[C@@H]1c2ccccc2C[C@H]1NC(=O)C(N)c1ccc(F)cc1.Cl.
What is the InChIKey of 2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride?
The InChIKey is MNYYRNXCIDAHHW-QNUUAJNISA-N. The full InChI is InChI=1S/C18H19FN2O.ClH/c1-11-15-5-3-2-4-13(15)10-16(11)21-18(22)17(20)12-6-8-14(19)9-7-12;/h2-9,11,16-17H,10,20H2,1H3,(H,21,22);1H/t11-,16-,17?;/m1./s1.
What are the key properties of 2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride?
2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride has a molecular weight of 334.82 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 137441281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).