N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide

C20H20ClNO2 — CID 30855920

IUPACN-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO2/c21-18-8-4-14(5-9-18)13-22-20(24)11-10-19(23)17-7-6-15-2-1-3-16(15)12-17/h4-9,12H,1-3,10-11,13H2,(H,22,24)
InChIKeyGUEKFZDMXXMXMJ-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.11
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide

N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide (PubChem CID 30855920) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
PubChem CID30855920
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO2/c21-18-8-4-14(5-9-18)13-22-20(24)11-10-19(23)17-7-6-15-2-1-3-16(15)12-17/h4-9,12H,1-3,10-11,13H2,(H,22,24)
InChIKeyGUEKFZDMXXMXMJ-UHFFFAOYSA-N
XLogP4.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9393455
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 34557995
N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344819
4-oxo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55841075
N-[2-(4-aminophenyl)ethyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119547831
N-[(2-methylphenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9104253
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 9116198
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide
CID 78792080
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 30602319
1-benzyl-3-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]thiourea
CID 31529199
N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108795675
N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide (CID 30855920) is N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide is O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The InChIKey is GUEKFZDMXXMXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c21-18-8-4-14(5-9-18)13-22-20(24)11-10-19(23)17-7-6-15-2-1-3-16(15)12-17/h4-9,12H,1-3,10-11,13H2,(H,22,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide has a molecular weight of 341.84 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide is sourced from PubChem (CID 30855920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).