N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide

C16H10ClNO4 — CID 54698718

IUPACN-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C16H10ClNO4/c17-9-5-7-10(8-6-9)18-15(20)13-14(19)11-3-1-2-4-12(11)22-16(13)21/h1-8,19H,(H,18,20)
InChIKeySLWZOQPAOHZSPT-UHFFFAOYSA-N
MW315.71 g/mol
LogP3.40
Rot. Bonds2

About N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide

N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide (PubChem CID 54698718) has the molecular formula C16H10ClNO4 and a molecular weight of 315.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
PubChem CID54698718
Molecular FormulaC16H10ClNO4
Molecular Weight315.71 g/mol
Exact Mass315.03
IUPAC NameN-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C16H10ClNO4/c17-9-5-7-10(8-6-9)18-15(20)13-14(19)11-3-1-2-4-12(11)22-16(13)21/h1-8,19H,(H,18,20)
InChIKeySLWZOQPAOHZSPT-UHFFFAOYSA-N
XLogP3.40
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54736250
4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide
CID 54695908
4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 54748267
N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54737498
8-fluoro-4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide
CID 54733251
4-hydroxy-2-oxo-N-(1,3,4-thiadiazol-2-yl)chromene-3-carboxamide
CID 54726652
3-[2-(4-chlorophenoxy)acetyl]-4-hydroxychromen-2-one
CID 54684404
N-[3-chloro-4-(trifluoromethyl)thiophen-2-yl]-4-hydroxy-2-oxochromene-3-carboxamide
CID 88650334
1-[4-[bis(4-hydroxy-2-oxochromen-3-yl)methyl]phenyl]-3-(4-chlorophenyl)thiourea
CID 118855503
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
3-(4-chlorophenyl)sulfonyl-4-hydroxychromen-2-one
CID 100945200
4-[(4-chlorophenyl)carbamoyl]-1-oxo-2H-isoquinolin-3-olate
CID 134125080

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide (CID 54698718) is N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The InChIKey is SLWZOQPAOHZSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO4/c17-9-5-7-10(8-6-9)18-15(20)13-14(19)11-3-1-2-4-12(11)22-16(13)21/h1-8,19H,(H,18,20).
What are the key properties of N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide?
N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide has a molecular weight of 315.71 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 54698718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).