N-(4-bromo-2-hydroxyphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide

C19H18BrNO3 — CID 60513206

IUPACN-(4-bromo-2-hydroxyphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(Br)cc1O
InChIInChI=1S/C19H18BrNO3/c20-15-6-7-16(18(23)11-15)21-19(24)9-8-17(22)14-5-4-12-2-1-3-13(12)10-14/h4-7,10-11,23H,1-3,8-9H2,(H,21,24)
InChIKeyLKFWDKJJDRVQDI-UHFFFAOYSA-N
MW388.26 g/mol
LogP4.24
Rot. Bonds5

About N-(4-bromo-2-hydroxyphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide

N-(4-bromo-2-hydroxyphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide (PubChem CID 60513206) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is N-(4-bromo-2-hydroxyphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-bromo-2-hydroxyphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
PubChem CID60513206
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC NameN-(4-bromo-2-hydroxyphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(Br)cc1O
InChIInChI=1S/C19H18BrNO3/c20-15-6-7-16(18(23)11-15)21-19(24)9-8-17(22)14-5-4-12-2-1-3-13(12)10-14/h4-7,10-11,23H,1-3,8-9H2,(H,21,24)
InChIKeyLKFWDKJJDRVQDI-UHFFFAOYSA-N
XLogP4.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]phenyl]acetic acid
CID 119353174
N-(2,4-difluorophenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9165021
N-(4-iodo-2-methylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108795653
methyl 3-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-hydroxybenzoate
CID 56543054
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 30602319
N-(3,5-dichloro-4-hydroxyphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108807181
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride
CID 119439099
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 94282659
4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
CID 9441784
methyl 4-methyl-3-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzoate
CID 9495176
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55924559
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 33040862

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-hydroxyphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The IUPAC name of N-(4-bromo-2-hydroxyphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide (CID 60513206) is N-(4-bromo-2-hydroxyphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide.
What is the SMILES notation for N-(4-bromo-2-hydroxyphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The canonical SMILES for N-(4-bromo-2-hydroxyphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide is O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(Br)cc1O.
What is the InChIKey of N-(4-bromo-2-hydroxyphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The InChIKey is LKFWDKJJDRVQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO3/c20-15-6-7-16(18(23)11-15)21-19(24)9-8-17(22)14-5-4-12-2-1-3-13(12)10-14/h4-7,10-11,23H,1-3,8-9H2,(H,21,24).
What are the key properties of N-(4-bromo-2-hydroxyphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
N-(4-bromo-2-hydroxyphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide has a molecular weight of 388.26 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-hydroxyphenyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide is sourced from PubChem (CID 60513206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).