N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide

C19H18ClN3O — CID 55482360

IUPACN-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
SMILESCC1Cc2ccccc2N1CCC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C19H18ClN3O/c1-13-10-14-4-2-3-5-18(14)23(13)9-8-19(24)22-16-7-6-15(12-21)17(20)11-16/h2-7,11,13H,8-10H2,1H3,(H,22,24)
InChIKeyZKLKMDMRWUNXCO-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.99
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide

N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide (PubChem CID 55482360) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
PubChem CID55482360
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
SMILESCC1Cc2ccccc2N1CCC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C19H18ClN3O/c1-13-10-14-4-2-3-5-18(14)23(13)9-8-19(24)22-16-7-6-15(12-21)17(20)11-16/h2-7,11,13H,8-10H2,1H3,(H,22,24)
InChIKeyZKLKMDMRWUNXCO-UHFFFAOYSA-N
XLogP3.99
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109036323
N-(3-chloro-4-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 109008682
N-(3-chloro-4-cyanophenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46647504
N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2161891
N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2401395
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2652917
N-(2-cyanophenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2503334
N-(3,4-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108956828
4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 4818217
2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194409
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
CID 62613248
(3R,6R)-1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
CID 95151655

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide (CID 55482360) is N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide is CC1Cc2ccccc2N1CCC(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide?
The InChIKey is ZKLKMDMRWUNXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-13-10-14-4-2-3-5-18(14)23(13)9-8-19(24)22-16-7-6-15(12-21)17(20)11-16/h2-7,11,13H,8-10H2,1H3,(H,22,24).
What are the key properties of N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide?
N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide has a molecular weight of 339.83 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide is sourced from PubChem (CID 55482360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).