N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide

C30H24N2O3 — CID 108803154

IUPACN-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc(Nc2ccccc2NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)cc1
InChIInChI=1S/C30H24N2O3/c1-19-7-14-23(15-8-19)31-25-5-3-4-6-26(25)32-30(34)22-12-10-21(11-13-22)29-18-27(33)24-17-20(2)9-16-28(24)35-29/h3-18,31H,1-2H3,(H,32,34)
InChIKeyUKPKVHGOZTYMOF-UHFFFAOYSA-N
MW460.53 g/mol
LogP7.07
Rot. Bonds5

About N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide

N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide (PubChem CID 108803154) has the molecular formula C30H24N2O3 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
PubChem CID108803154
Molecular FormulaC30H24N2O3
Molecular Weight460.53 g/mol
Exact Mass460.18
IUPAC NameN-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc(Nc2ccccc2NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)cc1
InChIInChI=1S/C30H24N2O3/c1-19-7-14-23(15-8-19)31-25-5-3-4-6-26(25)32-30(34)22-12-10-21(11-13-22)29-18-27(33)24-17-20(2)9-16-28(24)35-29/h3-18,31H,1-2H3,(H,32,34)
InChIKeyUKPKVHGOZTYMOF-UHFFFAOYSA-N
XLogP7.07
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
N-(3-chloro-2-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790173
N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803001
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 108790302
4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide
CID 108790350
4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 108803013
N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790344
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790358
N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790185

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide (CID 108803154) is N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide is Cc1ccc(Nc2ccccc2NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)cc1.
What is the InChIKey of N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The InChIKey is UKPKVHGOZTYMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O3/c1-19-7-14-23(15-8-19)31-25-5-3-4-6-26(25)32-30(34)22-12-10-21(11-13-22)29-18-27(33)24-17-20(2)9-16-28(24)35-29/h3-18,31H,1-2H3,(H,32,34).
What are the key properties of N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide?
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide has a molecular weight of 460.53 g/mol, XLogP of 7.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108803154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).