N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide

C23H15ClN2O4 — CID 5346060

IUPACN-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1)c1ccccc1Cl
InChIInChI=1S/C23H15ClN2O4/c24-19-10-3-2-9-17(19)21(27)25-15-7-5-8-16(13-15)26-22(28)18-12-14-6-1-4-11-20(14)30-23(18)29/h1-13H,(H,25,27)(H,26,28)
InChIKeyNJUKQGSHHROOHD-UHFFFAOYSA-N
MW418.84 g/mol
LogP4.95
Rot. Bonds4

About N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide

N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide (PubChem CID 5346060) has the molecular formula C23H15ClN2O4 and a molecular weight of 418.84 g/mol. Its IUPAC name is N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
PubChem CID5346060
Molecular FormulaC23H15ClN2O4
Molecular Weight418.84 g/mol
Exact Mass418.07
IUPAC NameN-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1)c1ccccc1Cl
InChIInChI=1S/C23H15ClN2O4/c24-19-10-3-2-9-17(19)21(27)25-15-7-5-8-16(13-15)26-22(28)18-12-14-6-1-4-11-20(14)30-23(18)29/h1-13H,(H,25,27)(H,26,28)
InChIKeyNJUKQGSHHROOHD-UHFFFAOYSA-N
XLogP4.95
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 54.95
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

2-chloro-N-[3-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 4572798
2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3915161
N-(3-ethynylphenyl)-2-oxochromene-3-carboxamide
CID 2732913
N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 2093172
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-oxochromene-3-carboxamide
CID 3566147
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
2,3-dichloro-N-(2-oxochromen-3-yl)benzamide
CID 4025638
2-chloro-N-(2-oxochromen-6-yl)benzamide
CID 965741
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
N-[3-(1,3-dithian-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 27842518

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide (CID 5346060) is N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide is O=C(Nc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1)c1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is NJUKQGSHHROOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O4/c24-19-10-3-2-9-17(19)21(27)25-15-7-5-8-16(13-15)26-22(28)18-12-14-6-1-4-11-20(14)30-23(18)29/h1-13H,(H,25,27)(H,26,28).
What are the key properties of N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide?
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 418.84 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 5346060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).