[(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid

C12H12ClFN2O2 — CID 150210135

IUPAC[(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid
SMILESC[C@@H](Cc1c[nH]c2cc(Cl)c(F)cc12)NC(=O)O
InChIInChI=1S/C12H12ClFN2O2/c1-6(16-12(17)18)2-7-5-15-11-4-9(13)10(14)3-8(7)11/h3-6,15-16H,2H2,1H3,(H,17,18)/t6-/m0/s1
InChIKeyFRHRNZLEXHAFSP-LURJTMIESA-N
MW270.69 g/mol
LogP3.16
Rot. Bonds3

About [(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid

[(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid (PubChem CID 150210135) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is [(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid
PubChem CID150210135
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name[(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid
SMILESC[C@@H](Cc1c[nH]c2cc(Cl)c(F)cc12)NC(=O)O
InChIInChI=1S/C12H12ClFN2O2/c1-6(16-12(17)18)2-7-5-15-11-4-9(13)10(14)3-8(7)11/h3-6,15-16H,2H2,1H3,(H,17,18)/t6-/m0/s1
InChIKeyFRHRNZLEXHAFSP-LURJTMIESA-N
XLogP3.16
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1H-Indole-1-ethanamine, 6-chloro-5-fluoro-alpha-methyl-, (alphaS)-, (2E)-2-butenedioate (1:1)
CID 6446435
Etryptamine Acetate
CID 8366
5-Chloro-alphamt
CID 12833
N-(2-(5-fluoro-1H-indol-3-yl)ethyl)acetamide
CID 699127
2-chloroethyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate
CID 2827474
6-Chloroindole
CID 87111
(S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
CID 3045227
(R)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
CID 5745501
N-[2-(6-Fluoro-1H-indol-3-yl)-ethyl]-acetamide
CID 10751398
1-(5-Chloro-1H-indol-3-yl)propan-2-amine--hydrogen chloride (1/1)
CID 518485
N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 384240
3-(6-chloro-1H-indol-3-yl)-N,N-dimethylcyclopentanamine
CID 10467904

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid (CID 150210135) is [(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid is C[C@@H](Cc1c[nH]c2cc(Cl)c(F)cc12)NC(=O)O.
What is the InChIKey of [(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid?
The InChIKey is FRHRNZLEXHAFSP-LURJTMIESA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c1-6(16-12(17)18)2-7-5-15-11-4-9(13)10(14)3-8(7)11/h3-6,15-16H,2H2,1H3,(H,17,18)/t6-/m0/s1.
What are the key properties of [(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid?
[(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid has a molecular weight of 270.69 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-yl]carbamic acid is sourced from PubChem (CID 150210135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).