N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

C23H24ClNO3 — CID 108742267

IUPACN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCCC2)NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C23H24ClNO3/c24-18-7-9-22-19(14-18)20(11-12-28-22)25-23(27)10-8-21(26)17-6-5-15-3-1-2-4-16(15)13-17/h5-7,9,13-14,20H,1-4,8,10-12H2,(H,25,27)
InChIKeyQGEDHQRAPGVDSK-UHFFFAOYSA-N
MW397.90 g/mol
LogP4.82
Rot. Bonds5

About N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 108742267) has the molecular formula C23H24ClNO3 and a molecular weight of 397.90 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
PubChem CID108742267
Molecular FormulaC23H24ClNO3
Molecular Weight397.90 g/mol
Exact Mass397.14
IUPAC NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCCC2)NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C23H24ClNO3/c24-18-7-9-22-19(14-18)20(11-12-28-22)25-23(27)10-8-21(26)17-6-5-15-3-1-2-4-16(15)13-17/h5-7,9,13-14,20H,1-4,8,10-12H2,(H,25,27)
InChIKeyQGEDHQRAPGVDSK-UHFFFAOYSA-N
XLogP4.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
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N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
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N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide
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3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672
N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide
CID 68795382
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CID 18164395
3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea
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N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 30855920
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
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4-oxo-N-piperidin-4-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
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N-[6-(2-chloroacetyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (CID 108742267) is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is O=C(CCC(=O)c1ccc2c(c1)CCCC2)NC1CCOc2ccc(Cl)cc21.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is QGEDHQRAPGVDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO3/c24-18-7-9-22-19(14-18)20(11-12-28-22)25-23(27)10-8-21(26)17-6-5-15-3-1-2-4-16(15)13-17/h5-7,9,13-14,20H,1-4,8,10-12H2,(H,25,27).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 397.90 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 108742267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).