N-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide

C25H24ClNO5 — CID 102339440

IUPACN-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C(C)=O)c(C)cc2-c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C25H24ClNO5/c1-14-10-20(16-6-8-18(26)9-7-16)21(13-19(14)15(2)28)27-25(29)17-11-22(30-3)24(32-5)23(12-17)31-4/h6-13H,1-5H3,(H,27,29)
InChIKeyKZBKMRNEVQSKGT-UHFFFAOYSA-N
MW453.92 g/mol
LogP5.80
Rot. Bonds7

About N-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide

N-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide (PubChem CID 102339440) has the molecular formula C25H24ClNO5 and a molecular weight of 453.92 g/mol. Its IUPAC name is N-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide
PubChem CID102339440
Molecular FormulaC25H24ClNO5
Molecular Weight453.92 g/mol
Exact Mass453.13
IUPAC NameN-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C(C)=O)c(C)cc2-c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C25H24ClNO5/c1-14-10-20(16-6-8-18(26)9-7-16)21(13-19(14)15(2)28)27-25(29)17-11-22(30-3)24(32-5)23(12-17)31-4/h6-13H,1-5H3,(H,27,29)
InChIKeyKZBKMRNEVQSKGT-UHFFFAOYSA-N
XLogP5.80
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.92
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide
CID 835945
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458
N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126005822
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide
CID 2980127
4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide
CID 14791088
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate
CID 15406018
4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide
CID 56782948
N-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide
CID 102339443

Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide (CID 102339440) is N-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cc(C(C)=O)c(C)cc2-c2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of N-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is KZBKMRNEVQSKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO5/c1-14-10-20(16-6-8-18(26)9-7-16)21(13-19(14)15(2)28)27-25(29)17-11-22(30-3)24(32-5)23(12-17)31-4/h6-13H,1-5H3,(H,27,29).
What are the key properties of N-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide?
N-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 453.92 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 102339440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).