(4-benzamidophenyl) 4-oxochromene-2-carboxylate

C23H15NO5 — CID 34736141

IUPAC(4-benzamidophenyl) 4-oxochromene-2-carboxylate
SMILESO=C(Nc1ccc(OC(=O)c2cc(=O)c3ccccc3o2)cc1)c1ccccc1
InChIInChI=1S/C23H15NO5/c25-19-14-21(29-20-9-5-4-8-18(19)20)23(27)28-17-12-10-16(11-13-17)24-22(26)15-6-2-1-3-7-15/h1-14H,(H,24,26)
InChIKeySWMSDLXUGKEOOT-UHFFFAOYSA-N
MW385.38 g/mol
LogP4.26
Rot. Bonds4

About (4-benzamidophenyl) 4-oxochromene-2-carboxylate

(4-benzamidophenyl) 4-oxochromene-2-carboxylate (PubChem CID 34736141) has the molecular formula C23H15NO5 and a molecular weight of 385.38 g/mol. Its IUPAC name is (4-benzamidophenyl) 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name(4-benzamidophenyl) 4-oxochromene-2-carboxylate
PubChem CID34736141
Molecular FormulaC23H15NO5
Molecular Weight385.38 g/mol
Exact Mass385.10
IUPAC Name(4-benzamidophenyl) 4-oxochromene-2-carboxylate
SMILESO=C(Nc1ccc(OC(=O)c2cc(=O)c3ccccc3o2)cc1)c1ccccc1
InChIInChI=1S/C23H15NO5/c25-19-14-21(29-20-9-5-4-8-18(19)20)23(27)28-17-12-10-16(11-13-17)24-22(26)15-6-2-1-3-7-15/h1-14H,(H,24,26)
InChIKeySWMSDLXUGKEOOT-UHFFFAOYSA-N
XLogP4.26
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 42969814
ethyl 6-benzamido-4-oxochromene-2-carboxylate
CID 22471894
(4-benzamidophenyl) benzoate
CID 569583
N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide
CID 38253448
N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide
CID 31855114
(4-benzamidophenyl) 4-carbamoylbenzoate
CID 35623223
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-oxochromene-2-carboxamide
CID 32938140
ethyl 4-oxo-6-[[4-(3-phenylpropoxy)benzoyl]amino]chromene-2-carboxylate
CID 22924435
[2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2432321
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-oxochromene-2-carboxylate
CID 2102651
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4-oxochromene-2-carboxylate
CID 7968490

Frequently Asked Questions

What is the IUPAC name of (4-benzamidophenyl) 4-oxochromene-2-carboxylate?
The IUPAC name of (4-benzamidophenyl) 4-oxochromene-2-carboxylate (CID 34736141) is (4-benzamidophenyl) 4-oxochromene-2-carboxylate.
What is the SMILES notation for (4-benzamidophenyl) 4-oxochromene-2-carboxylate?
The canonical SMILES for (4-benzamidophenyl) 4-oxochromene-2-carboxylate is O=C(Nc1ccc(OC(=O)c2cc(=O)c3ccccc3o2)cc1)c1ccccc1.
What is the InChIKey of (4-benzamidophenyl) 4-oxochromene-2-carboxylate?
The InChIKey is SWMSDLXUGKEOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO5/c25-19-14-21(29-20-9-5-4-8-18(19)20)23(27)28-17-12-10-16(11-13-17)24-22(26)15-6-2-1-3-7-15/h1-14H,(H,24,26).
What are the key properties of (4-benzamidophenyl) 4-oxochromene-2-carboxylate?
(4-benzamidophenyl) 4-oxochromene-2-carboxylate has a molecular weight of 385.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzamidophenyl) 4-oxochromene-2-carboxylate is sourced from PubChem (CID 34736141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).