(2R)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide

C18H16ClFN2O2 — CID 122192203

IUPAC(2R)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)[C@H]1Cc2ccccc2N1C(=O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C18H16ClFN2O2/c1-21-18(24)16-10-12-4-2-3-5-15(12)22(16)17(23)9-11-6-7-13(19)14(20)8-11/h2-8,16H,9-10H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyVUXHJDKTVIZAEJ-MRXNPFEDSA-N
MW346.79 g/mol
LogP2.73
Rot. Bonds3

About (2R)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide

(2R)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 122192203) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is (2R)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID122192203
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name(2R)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)[C@H]1Cc2ccccc2N1C(=O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C18H16ClFN2O2/c1-21-18(24)16-10-12-4-2-3-5-15(12)22(16)17(23)9-11-6-7-13(19)14(20)8-11/h2-8,16H,9-10H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyVUXHJDKTVIZAEJ-MRXNPFEDSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[2-(5-fluoro-2,3-dihydro-1H-indol-1-yl)ethyl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 11200735
Spiro-oxindole, 1
CID 11351960
(2S)-N-[2-(5-chloro-2,3-dihydro-1H-indol-1-yl)ethyl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 11418931
Spiro-oxindole, 5
CID 11526064
Spiro-oxindole, 10
CID 11541499
Spiro-oxindole, 7
CID 11620161
Spiro-oxindole, 6
CID 11663211
N-(1-aminoethyl)-N-[(1S)-(2-{4-[(2R)-(2-oxo-1-pyrrolidinyl)-3-(2,4-dichlorophenyl)propionyl]-1-piperazinyl}-3-fluorophenyl)-3-methylbutyl]amine
CID 24180646
3-{4-[4-(4-Chlorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-6-fluoro-1,3-dihydro-2H-indol-2-one
CID 24829343
3-{4-[4-(3-Chloro-4-fluorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 24853955
3-{4-[4-(3-Chlorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-6-fluoro-1,3-dihydro-2H-indol-2-one
CID 24854041
N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2R)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (CID 122192203) is (2R)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is CNC(=O)[C@H]1Cc2ccccc2N1C(=O)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of (2R)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is VUXHJDKTVIZAEJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-21-18(24)16-10-12-4-2-3-5-15(12)22(16)17(23)9-11-6-7-13(19)14(20)8-11/h2-8,16H,9-10H2,1H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (2R)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
(2R)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 346.79 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 122192203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).