7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide

C20H16BrNO3 — CID 154874451

IUPAC7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide
SMILESCC1(c2cccc(NC(=O)c3cc(=O)c4ccc(Br)cc4o3)c2)CC1
InChIInChI=1S/C20H16BrNO3/c1-20(7-8-20)12-3-2-4-14(9-12)22-19(24)18-11-16(23)15-6-5-13(21)10-17(15)25-18/h2-6,9-11H,7-8H2,1H3,(H,22,24)
InChIKeySOFBLGDBVCAPAB-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.86
Rot. Bonds3

About 7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide

7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide (PubChem CID 154874451) has the molecular formula C20H16BrNO3 and a molecular weight of 398.26 g/mol. Its IUPAC name is 7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide
PubChem CID154874451
Molecular FormulaC20H16BrNO3
Molecular Weight398.26 g/mol
Exact Mass397.03
IUPAC Name7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide
SMILESCC1(c2cccc(NC(=O)c3cc(=O)c4ccc(Br)cc4o3)c2)CC1
InChIInChI=1S/C20H16BrNO3/c1-20(7-8-20)12-3-2-4-14(9-12)22-19(24)18-11-16(23)15-6-5-13(21)10-17(15)25-18/h2-6,9-11H,7-8H2,1H3,(H,22,24)
InChIKeySOFBLGDBVCAPAB-UHFFFAOYSA-N
XLogP4.86
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-(3-chloro-4-methoxyphenyl)-4-oxochromene-2-carboxamide
CID 35180956
7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4871288
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide
CID 19118994
6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 35181653
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide
CID 51998176
7-bromo-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride
CID 45369583
N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 16648984
7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
CID 39834838
N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide
CID 175651972
N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 51432230

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide (CID 154874451) is 7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide is CC1(c2cccc(NC(=O)c3cc(=O)c4ccc(Br)cc4o3)c2)CC1.
What is the InChIKey of 7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide?
The InChIKey is SOFBLGDBVCAPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO3/c1-20(7-8-20)12-3-2-4-14(9-12)22-19(24)18-11-16(23)15-6-5-13(21)10-17(15)25-18/h2-6,9-11H,7-8H2,1H3,(H,22,24).
What are the key properties of 7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide?
7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[3-(1-methylcyclopropyl)phenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 154874451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).