N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide

C26H22ClNO5 — CID 108787133

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)cc(C)c4o3)cc2)c(OC)cc1Cl
InChIInChI=1S/C26H22ClNO5/c1-14-9-15(2)25-18(10-14)21(29)13-22(33-25)16-5-7-17(8-6-16)26(30)28-20-12-23(31-3)19(27)11-24(20)32-4/h5-13H,1-4H3,(H,28,30)
InChIKeyFNBVVLBHKPLJAM-UHFFFAOYSA-N
MW463.92 g/mol
LogP6.00
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide (PubChem CID 108787133) has the molecular formula C26H22ClNO5 and a molecular weight of 463.92 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
PubChem CID108787133
Molecular FormulaC26H22ClNO5
Molecular Weight463.92 g/mol
Exact Mass463.12
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)cc(C)c4o3)cc2)c(OC)cc1Cl
InChIInChI=1S/C26H22ClNO5/c1-14-9-15(2)25-18(10-14)21(29)13-22(33-25)16-5-7-17(8-6-16)26(30)28-20-12-23(31-3)19(27)11-24(20)32-4/h5-13H,1-4H3,(H,28,30)
InChIKeyFNBVVLBHKPLJAM-UHFFFAOYSA-N
XLogP6.00
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.92
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799946
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide
CID 108787032
N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799914
N-(4-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108786947
N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787059
N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787110
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 108799991
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 108800008
propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108787096
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 26069017
N-(3-chloro-2-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790173

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide (CID 108787133) is N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide is COc1cc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)cc(C)c4o3)cc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The InChIKey is FNBVVLBHKPLJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO5/c1-14-9-15(2)25-18(10-14)21(29)13-22(33-25)16-5-7-17(8-6-16)26(30)28-20-12-23(31-3)19(27)11-24(20)32-4/h5-13H,1-4H3,(H,28,30).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide has a molecular weight of 463.92 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108787133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).