N-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide

C19H14BrNO3 — CID 611701

IUPACN-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)Nc3ccccc3Br)c(=O)oc12
InChIInChI=1S/C19H14BrNO3/c1-2-6-12-7-5-8-13-11-14(19(23)24-17(12)13)18(22)21-16-10-4-3-9-15(16)20/h2-5,7-11H,1,6H2,(H,21,22)
InChIKeyFMRHXIGDTFESRE-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.54
Rot. Bonds4

About N-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide

N-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide (PubChem CID 611701) has the molecular formula C19H14BrNO3 and a molecular weight of 384.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
PubChem CID611701
Molecular FormulaC19H14BrNO3
Molecular Weight384.23 g/mol
Exact Mass383.02
IUPAC NameN-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)Nc3ccccc3Br)c(=O)oc12
InChIInChI=1S/C19H14BrNO3/c1-2-6-12-7-5-8-13-11-14(19(23)24-17(12)13)18(22)21-16-10-4-3-9-15(16)20/h2-5,7-11H,1,6H2,(H,21,22)
InChIKeyFMRHXIGDTFESRE-UHFFFAOYSA-N
XLogP4.54
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'coumarin_B(2)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 810659
N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 804653
3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one
CID 56694172
N-(3,4-dichlorophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 1108271
N-(4-methyl-2-nitrophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 2888714
2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide
CID 21176516
N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide
CID 763579
N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide
CID 785049
N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 785044
N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794147
methyl 3-[[4-[(2-oxo-8-prop-2-enylchromene-3-carbonyl)amino]phenyl]methylamino]propanoate
CID 24762691
N'-(3,4-dimethoxybenzoyl)-2-oxo-8-prop-2-enylchromene-3-carbohydrazide
CID 1122732

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide (CID 611701) is N-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide is C=CCc1cccc2cc(C(=O)Nc3ccccc3Br)c(=O)oc12.
What is the InChIKey of N-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The InChIKey is FMRHXIGDTFESRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNO3/c1-2-6-12-7-5-8-13-11-14(19(23)24-17(12)13)18(22)21-16-10-4-3-9-15(16)20/h2-5,7-11H,1,6H2,(H,21,22).
What are the key properties of N-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide?
N-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide has a molecular weight of 384.23 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide is sourced from PubChem (CID 611701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).