4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide

C25H21NO3 — CID 3893067

IUPAC4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c(C)c1
InChIInChI=1S/C25H21NO3/c1-15-12-16(2)23(17(3)13-15)26-24(27)19-10-8-18(9-11-19)21-14-20-6-4-5-7-22(20)29-25(21)28/h4-14H,1-3H3,(H,26,27)
InChIKeyICCAMZZAWDHQHN-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.64
Rot. Bonds3

About 4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide

4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 3893067) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID3893067
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c(C)c1
InChIInChI=1S/C25H21NO3/c1-15-12-16(2)23(17(3)13-15)26-24(27)19-10-8-18(9-11-19)21-14-20-6-4-5-7-22(20)29-25(21)28/h4-14H,1-3H3,(H,26,27)
InChIKeyICCAMZZAWDHQHN-UHFFFAOYSA-N
XLogP5.64
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide
CID 3637039
4-(2-oxochromen-3-yl)-N-(2,4,5-trichlorophenyl)benzamide
CID 4695361
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481
3-methyl-4-nitro-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 23992064
N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 4237295
4-(2-oxochromen-3-yl)benzoate
CID 4249737
N-(2-chloro-4-iodophenyl)-4-(2-oxochromen-3-yl)benzamide
CID 3978077
4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4243574
2,4-dimethyl-N-[[4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide
CID 2200235
N-(9,10-dioxoanthracen-1-yl)-4-(2-oxochromen-3-yl)benzamide
CID 3707397
4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 942201
3-chloro-N-[4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 3322024

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide (CID 3893067) is 4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c(C)c1.
What is the InChIKey of 4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is ICCAMZZAWDHQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-15-12-16(2)23(17(3)13-15)26-24(27)19-10-8-18(9-11-19)21-14-20-6-4-5-7-22(20)29-25(21)28/h4-14H,1-3H3,(H,26,27).
What are the key properties of 4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide?
4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 383.45 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 3893067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).