2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide

C14H16ClFN2O — CID 146094497

IUPAC2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide
SMILESCC(Cc1cn(C)c2ccc(F)cc12)NC(=O)CCl
InChIInChI=1S/C14H16ClFN2O/c1-9(17-14(19)7-15)5-10-8-18(2)13-4-3-11(16)6-12(10)13/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,19)
InChIKeyDMLRLCMWAYKAFY-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.60
Rot. Bonds4

About 2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide

2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide (PubChem CID 146094497) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide
PubChem CID146094497
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide
SMILESCC(Cc1cn(C)c2ccc(F)cc12)NC(=O)CCl
InChIInChI=1S/C14H16ClFN2O/c1-9(17-14(19)7-15)5-10-8-18(2)13-4-3-11(16)6-12(10)13/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,19)
InChIKeyDMLRLCMWAYKAFY-UHFFFAOYSA-N
XLogP2.60
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide
CID 167819442
N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 92626130
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46978008
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 92613685
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
CID 154849963
1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol
CID 117121023
2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one
CID 162765604
N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 46976195
1-(5-fluoro-1-methylindol-3-yl)ethanol
CID 117121009
6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide
CID 30133417
3-ethyl-5-fluoro-1-propan-2-ylindole
CID 155279245
N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 114299394

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide (CID 146094497) is 2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide is CC(Cc1cn(C)c2ccc(F)cc12)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide?
The InChIKey is DMLRLCMWAYKAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-9(17-14(19)7-15)5-10-8-18(2)13-4-3-11(16)6-12(10)13/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide?
2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide has a molecular weight of 282.75 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 146094497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).