(2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide

C18H16FN3O3 — CID 56822734

IUPAC(2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)N2c3ccccc3C[C@H]2C(N)=O)c1
InChIInChI=1S/C18H16FN3O3/c1-10(23)21-12-6-7-14(19)13(9-12)18(25)22-15-5-3-2-4-11(15)8-16(22)17(20)24/h2-7,9,16H,8H2,1H3,(H2,20,24)(H,21,23)/t16-/m0/s1
InChIKeyUXMYRRUDAXOROT-INIZCTEOSA-N
MW341.34 g/mol
LogP1.84
Rot. Bonds3

About (2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide

(2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 56822734) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is (2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide
PubChem CID56822734
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name(2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)N2c3ccccc3C[C@H]2C(N)=O)c1
InChIInChI=1S/C18H16FN3O3/c1-10(23)21-12-6-7-14(19)13(9-12)18(25)22-15-5-3-2-4-11(15)8-16(22)17(20)24/h2-7,9,16H,8H2,1H3,(H2,20,24)(H,21,23)/t16-/m0/s1
InChIKeyUXMYRRUDAXOROT-INIZCTEOSA-N
XLogP1.84
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428763
(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428724
(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 40829167
(2R)-1-(2-ethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428728
(2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide
CID 95146370
(2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428756
1-(1-benzofuran-2-carbonyl)-2,3-dihydroindole-2-carboxamide
CID 18587951
(2R)-1-N-(2,4-dimethoxyphenyl)-2,3-dihydroindole-1,2-dicarboxamide
CID 41232320
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
CID 119409656
(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 92710318
1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 18587923
N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-4-fluorophenyl]acetamide
CID 120655506

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide (CID 56822734) is (2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide is CC(=O)Nc1ccc(F)c(C(=O)N2c3ccccc3C[C@H]2C(N)=O)c1.
What is the InChIKey of (2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is UXMYRRUDAXOROT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-10(23)21-12-6-7-14(19)13(9-12)18(25)22-15-5-3-2-4-11(15)8-16(22)17(20)24/h2-7,9,16H,8H2,1H3,(H2,20,24)(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide?
(2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 56822734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).