N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide

C14H17FN2O2 — CID 94212219

IUPACN-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)N[C@H]1CCc2cc(F)ccc21
InChIInChI=1S/C14H17FN2O2/c1-2-13(18)16-8-14(19)17-12-6-3-9-7-10(15)4-5-11(9)12/h4-5,7,12H,2-3,6,8H2,1H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyBXVLQMPUDNNOTC-LBPRGKRZSA-N
MW264.30 g/mol
LogP1.46
Rot. Bonds4

About N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide

N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide (PubChem CID 94212219) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
PubChem CID94212219
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)N[C@H]1CCc2cc(F)ccc21
InChIInChI=1S/C14H17FN2O2/c1-2-13(18)16-8-14(19)17-12-6-3-9-7-10(15)4-5-11(9)12/h4-5,7,12H,2-3,6,8H2,1H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyBXVLQMPUDNNOTC-LBPRGKRZSA-N
XLogP1.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
CID 119745353
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60574244
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 94646793
N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 116531134
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea
CID 60577386
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
CID 94198795
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122065402
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119745340
N-[5-(nitrosomethyl)-2,3-dihydro-1H-inden-1-yl]propanamide
CID 91202520
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438432
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
CID 111974189
2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylurea
CID 116531124

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide?
The IUPAC name of N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide (CID 94212219) is N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide is CCC(=O)NCC(=O)N[C@H]1CCc2cc(F)ccc21.
What is the InChIKey of N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide?
The InChIKey is BXVLQMPUDNNOTC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-2-13(18)16-8-14(19)17-12-6-3-9-7-10(15)4-5-11(9)12/h4-5,7,12H,2-3,6,8H2,1H3,(H,16,18)(H,17,19)/t12-/m0/s1.
What are the key properties of N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide?
N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide has a molecular weight of 264.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 94212219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).