methyl 2-(3-cyanophenyl)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]acetate

C19H17FN2O2 — CID 71923395

IUPACmethyl 2-(3-cyanophenyl)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]acetate
SMILESCOC(=O)C(NC1CCc2c(F)cccc21)c1cccc(C#N)c1
InChIInChI=1S/C19H17FN2O2/c1-24-19(23)18(13-5-2-4-12(10-13)11-21)22-17-9-8-14-15(17)6-3-7-16(14)20/h2-7,10,17-18,22H,8-9H2,1H3
InChIKeyXZSHZOAKVFDNAP-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.19
Rot. Bonds4

About methyl 2-(3-cyanophenyl)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]acetate

methyl 2-(3-cyanophenyl)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]acetate (PubChem CID 71923395) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is methyl 2-(3-cyanophenyl)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-(3-cyanophenyl)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]acetate
PubChem CID71923395
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Namemethyl 2-(3-cyanophenyl)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]acetate
SMILESCOC(=O)C(NC1CCc2c(F)cccc21)c1cccc(C#N)c1
InChIInChI=1S/C19H17FN2O2/c1-24-19(23)18(13-5-2-4-12(10-13)11-21)22-17-9-8-14-15(17)6-3-7-16(14)20/h2-7,10,17-18,22H,8-9H2,1H3
InChIKeyXZSHZOAKVFDNAP-UHFFFAOYSA-N
XLogP3.19
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(3-cyanophenyl)-2-(cyclohexylamino)acetate
CID 97234614
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 81327848
methyl (2R)-2-(3-cyanophenyl)-2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetate
CID 96798790
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83066315
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 103784055
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid
CID 83069027
4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 83067010
4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79492992
4-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79490334
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78956202

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyanophenyl)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]acetate?
The IUPAC name of methyl 2-(3-cyanophenyl)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]acetate (CID 71923395) is methyl 2-(3-cyanophenyl)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]acetate.
What is the SMILES notation for methyl 2-(3-cyanophenyl)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]acetate?
The canonical SMILES for methyl 2-(3-cyanophenyl)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]acetate is COC(=O)C(NC1CCc2c(F)cccc21)c1cccc(C#N)c1.
What is the InChIKey of methyl 2-(3-cyanophenyl)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]acetate?
The InChIKey is XZSHZOAKVFDNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-24-19(23)18(13-5-2-4-12(10-13)11-21)22-17-9-8-14-15(17)6-3-7-16(14)20/h2-7,10,17-18,22H,8-9H2,1H3.
What are the key properties of methyl 2-(3-cyanophenyl)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]acetate?
methyl 2-(3-cyanophenyl)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]acetate has a molecular weight of 324.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyanophenyl)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]acetate is sourced from PubChem (CID 71923395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).