2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide

C18H16ClFN2O2 — CID 110348128

IUPAC2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide
SMILESC[C@H](NC(=O)c1c(F)cccc1Cl)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H16ClFN2O2/c1-11(21-17(23)16-13(19)6-4-7-14(16)20)18(24)22-10-9-12-5-2-3-8-15(12)22/h2-8,11H,9-10H2,1H3,(H,21,23)/t11-/m0/s1
InChIKeyAKLVSJQYMGBJIQ-NSHDSACASA-N
MW346.79 g/mol
LogP3.19
Rot. Bonds3

About 2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide

2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide (PubChem CID 110348128) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide
PubChem CID110348128
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide
SMILESC[C@H](NC(=O)c1c(F)cccc1Cl)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H16ClFN2O2/c1-11(21-17(23)16-13(19)6-4-7-14(16)20)18(24)22-10-9-12-5-2-3-8-15(12)22/h2-8,11H,9-10H2,1H3,(H,21,23)/t11-/m0/s1
InChIKeyAKLVSJQYMGBJIQ-NSHDSACASA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide with MolForge

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
CID 92881472
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 46383450
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
CID 92881544
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 46383464
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 46383423
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
1-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylphenyl)urea
CID 92881468
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-methylbutyl)urea
CID 46383468

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide (CID 110348128) is 2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide is C[C@H](NC(=O)c1c(F)cccc1Cl)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide?
The InChIKey is AKLVSJQYMGBJIQ-NSHDSACASA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-11(21-17(23)16-13(19)6-4-7-14(16)20)18(24)22-10-9-12-5-2-3-8-15(12)22/h2-8,11H,9-10H2,1H3,(H,21,23)/t11-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide?
2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide has a molecular weight of 346.79 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide is sourced from PubChem (CID 110348128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).