N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide

C19H17ClN2O3 — CID 110344819

IUPACN-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CC(=O)N2)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O3/c20-15-4-1-12(2-5-15)11-21-18(24)8-7-17(23)13-3-6-16-14(9-13)10-19(25)22-16/h1-6,9H,7-8,10-11H2,(H,21,24)(H,22,25)
InChIKeyJQIULFYTEBGGSG-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.11
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide

N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide (PubChem CID 110344819) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
PubChem CID110344819
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CC(=O)N2)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O3/c20-15-4-1-12(2-5-15)11-21-18(24)8-7-17(23)13-3-6-16-14(9-13)10-19(25)22-16/h1-6,9H,7-8,10-11H2,(H,21,24)(H,22,25)
InChIKeyJQIULFYTEBGGSG-UHFFFAOYSA-N
XLogP3.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 30855920
(4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]piperazine-1-carboxylate
CID 25264585
4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 82501019
N-[(2-methoxyphenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344820
N-[(4-carbamoylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797946
N-cyclopentyl-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344793
5-[2-(4-fluorophenyl)acetyl]-1,3-dihydroindol-2-one
CID 43338576
N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344873
N-(2-morpholin-4-ylethyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344803
N-[(4-methoxyphenyl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 11346996
4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155707
N-(2-methylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344864

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide (CID 110344819) is N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide is O=C(CCC(=O)c1ccc2c(c1)CC(=O)N2)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The InChIKey is JQIULFYTEBGGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c20-15-4-1-12(2-5-15)11-21-18(24)8-7-17(23)13-3-6-16-14(9-13)10-19(25)22-16/h1-6,9H,7-8,10-11H2,(H,21,24)(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide has a molecular weight of 356.81 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide is sourced from PubChem (CID 110344819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).