(2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide

C20H18BrNO4 — CID 40653271

IUPAC(2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide
SMILESCc1cc2oc(=O)cc(C)c2cc1O[C@H](C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H18BrNO4/c1-11-9-19(23)26-18-8-12(2)17(10-16(11)18)25-13(3)20(24)22-15-6-4-14(21)5-7-15/h4-10,13H,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyCJDZPHZDIOAGFL-CYBMUJFWSA-N
MW416.27 g/mol
LogP4.58
Rot. Bonds4

About (2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide

(2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide (PubChem CID 40653271) has the molecular formula C20H18BrNO4 and a molecular weight of 416.27 g/mol. Its IUPAC name is (2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide
PubChem CID40653271
Molecular FormulaC20H18BrNO4
Molecular Weight416.27 g/mol
Exact Mass415.04
IUPAC Name(2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide
SMILESCc1cc2oc(=O)cc(C)c2cc1O[C@H](C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H18BrNO4/c1-11-9-19(23)26-18-8-12(2)17(10-16(11)18)25-13(3)20(24)22-15-6-4-14(21)5-7-15/h4-10,13H,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyCJDZPHZDIOAGFL-CYBMUJFWSA-N
XLogP4.58
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.27
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxy-N-(4-methylphenyl)propanamide
CID 40653349
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 16544795
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
CID 7967896
propan-2-yl 4-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzoate
CID 1178021
(2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide
CID 94332276
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191790
N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide?
The IUPAC name of (2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide (CID 40653271) is (2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide.
What is the SMILES notation for (2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide?
The canonical SMILES for (2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide is Cc1cc2oc(=O)cc(C)c2cc1O[C@H](C)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide?
The InChIKey is CJDZPHZDIOAGFL-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18BrNO4/c1-11-9-19(23)26-18-8-12(2)17(10-16(11)18)25-13(3)20(24)22-15-6-4-14(21)5-7-15/h4-10,13H,1-3H3,(H,22,24)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide?
(2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide has a molecular weight of 416.27 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide is sourced from PubChem (CID 40653271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).