(2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide

C19H21FN2O — CID 130277790

IUPAC(2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide
SMILESCC[C@H](C(=O)N[C@H]1Cc2ccccc2[C@@H]1N)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O/c1-2-15(12-7-9-14(20)10-8-12)19(23)22-17-11-13-5-3-4-6-16(13)18(17)21/h3-10,15,17-18H,2,11,21H2,1H3,(H,22,23)/t15-,17-,18-/m0/s1
InChIKeyUBGIOCUZZUAYII-SZMVWBNQSA-N
MW312.39 g/mol
LogP3.06
Rot. Bonds4

About (2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide

(2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide (PubChem CID 130277790) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is (2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide.

Molecular Properties

Compound Name(2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide
PubChem CID130277790
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name(2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide
SMILESCC[C@H](C(=O)N[C@H]1Cc2ccccc2[C@@H]1N)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O/c1-2-15(12-7-9-14(20)10-8-12)19(23)22-17-11-13-5-3-4-6-16(13)18(17)21/h3-10,15,17-18H,2,11,21H2,1H3,(H,22,23)/t15-,17-,18-/m0/s1
InChIKeyUBGIOCUZZUAYII-SZMVWBNQSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(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
(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
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
CID 165456832
(2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide
CID 130277377
2-amino-2-(4-fluorophenyl)-N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]acetamide;hydrochloride
CID 137441281
(2S)-N-[(1S,2S)-1-(2,2-difluoroethylamino)-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide
CID 137441352
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 74251445
N-[(1R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxyacetamide
CID 166991162
[(1S,2S)-2-[[2-cyclopropyl-2-(4-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 137441284
(3S)-3-(4-fluorophenyl)-1-(1-methoxy-2,3-dihydro-1H-inden-2-yl)pentan-2-one
CID 160953531

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide?
The IUPAC name of (2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide (CID 130277790) is (2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide.
What is the SMILES notation for (2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide?
The canonical SMILES for (2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide is CC[C@H](C(=O)N[C@H]1Cc2ccccc2[C@@H]1N)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide?
The InChIKey is UBGIOCUZZUAYII-SZMVWBNQSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-2-15(12-7-9-14(20)10-8-12)19(23)22-17-11-13-5-3-4-6-16(13)18(17)21/h3-10,15,17-18H,2,11,21H2,1H3,(H,22,23)/t15-,17-,18-/m0/s1.
What are the key properties of (2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide?
(2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide has a molecular weight of 312.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide is sourced from PubChem (CID 130277790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).