N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide

C29H22N2O3 — CID 108790282

IUPACN-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4ccc(Nc5ccccc5)cc4)cc3)cc(=O)c2c1
InChIInChI=1S/C29H22N2O3/c1-19-7-16-27-25(17-19)26(32)18-28(34-27)20-8-10-21(11-9-20)29(33)31-24-14-12-23(13-15-24)30-22-5-3-2-4-6-22/h2-18,30H,1H3,(H,31,33)
InChIKeyDHGVOTLUOASINV-UHFFFAOYSA-N
MW446.51 g/mol
LogP6.76
Rot. Bonds5

About N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide

N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (PubChem CID 108790282) has the molecular formula C29H22N2O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
PubChem CID108790282
Molecular FormulaC29H22N2O3
Molecular Weight446.51 g/mol
Exact Mass446.16
IUPAC NameN-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4ccc(Nc5ccccc5)cc4)cc3)cc(=O)c2c1
InChIInChI=1S/C29H22N2O3/c1-19-7-16-27-25(17-19)26(32)18-28(34-27)20-8-10-21(11-9-20)29(33)31-24-14-12-23(13-15-24)30-22-5-3-2-4-6-22/h2-18,30H,1H3,(H,31,33)
InChIKeyDHGVOTLUOASINV-UHFFFAOYSA-N
XLogP6.76
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790344
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790185
4-(6-methyl-4-oxochromen-2-yl)-N-(3-nitrophenyl)benzamide
CID 108803167
N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568672
N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790210
4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide
CID 108790205
N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803001
4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 108811382

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (CID 108790282) is N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is Cc1ccc2oc(-c3ccc(C(=O)Nc4ccc(Nc5ccccc5)cc4)cc3)cc(=O)c2c1.
What is the InChIKey of N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The InChIKey is DHGVOTLUOASINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O3/c1-19-7-16-27-25(17-19)26(32)18-28(34-27)20-8-10-21(11-9-20)29(33)31-24-14-12-23(13-15-24)30-22-5-3-2-4-6-22/h2-18,30H,1H3,(H,31,33).
What are the key properties of N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide has a molecular weight of 446.51 g/mol, XLogP of 6.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108790282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).