N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide

C18H14N2O4 — CID 31855114

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C18H14N2O4/c19-17(22)9-11-5-7-12(8-6-11)20-18(23)16-10-14(21)13-3-1-2-4-15(13)24-16/h1-8,10H,9H2,(H2,19,22)(H,20,23)
InChIKeyOROZXUFUYKZNAR-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.07
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide

N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide (PubChem CID 31855114) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide
PubChem CID31855114
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C18H14N2O4/c19-17(22)9-11-5-7-12(8-6-11)20-18(23)16-10-14(21)13-3-1-2-4-15(13)24-16/h1-8,10H,9H2,(H2,19,22)(H,20,23)
InChIKeyOROZXUFUYKZNAR-UHFFFAOYSA-N
XLogP2.07
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide
CID 38253448
4-oxo-N-[4-(tetrazol-1-yl)phenyl]chromene-2-carboxamide
CID 9111704
N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide
CID 103789742
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-oxochromene-2-carboxamide
CID 32938140
N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide
CID 47026428
N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide
CID 17460362
4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]chromene-2-carboxamide
CID 55524189
N-(2-chlorophenyl)-4-oxochromene-2-carboxamide
CID 892812
(4-benzamidophenyl) 4-oxochromene-2-carboxylate
CID 34736141
4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide
CID 122298602
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide (CID 31855114) is N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide is NC(=O)Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide?
The InChIKey is OROZXUFUYKZNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c19-17(22)9-11-5-7-12(8-6-11)20-18(23)16-10-14(21)13-3-1-2-4-15(13)24-16/h1-8,10H,9H2,(H2,19,22)(H,20,23).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 31855114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).