6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide

C19H16BrNO3 — CID 3816186

IUPAC6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C19H16BrNO3/c20-15-8-9-17-14(11-15)12-16(19(23)24-17)18(22)21-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,21,22)
InChIKeyUAZRZNPSXYAYLD-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.92
Rot. Bonds5

About 6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide

6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide (PubChem CID 3816186) has the molecular formula C19H16BrNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is 6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide
PubChem CID3816186
Molecular FormulaC19H16BrNO3
Molecular Weight386.25 g/mol
Exact Mass385.03
IUPAC Name6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C19H16BrNO3/c20-15-8-9-17-14(11-15)12-16(19(23)24-17)18(22)21-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,21,22)
InChIKeyUAZRZNPSXYAYLD-UHFFFAOYSA-N
XLogP3.92
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-oxo-N-[(2R)-4-phenylbutan-2-yl]chromene-3-carboxamide
CID 2090696
methyl 6-[(6-bromo-2-oxochromene-3-carbonyl)amino]hexanoate
CID 3803342
6-bromo-2-oxo-N-phenylchromene-3-carboxamide
CID 747661
6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 2484379
2-amino-4-bromo-N-(3-phenylpropyl)benzamide
CID 79720097
6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide
CID 90515535
6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide
CID 19133244
6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
CID 1111853
ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]acetate
CID 3769308
6-bromo-N-[2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]ethyl]-2-oxochromene-3-carboxamide
CID 121062024
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 110296017

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide?
The IUPAC name of 6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide (CID 3816186) is 6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide is O=C(NCCCc1ccccc1)c1cc2cc(Br)ccc2oc1=O.
What is the InChIKey of 6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide?
The InChIKey is UAZRZNPSXYAYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3/c20-15-8-9-17-14(11-15)12-16(19(23)24-17)18(22)21-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,21,22).
What are the key properties of 6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide?
6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide is sourced from PubChem (CID 3816186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).