N-[(4-acetylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide

C28H25ClN2O4 — CID 10624880

IUPACN-[(4-acetylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCc1ccc(C(C)=O)cc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H25ClN2O4/c1-17-24(15-27(33)30-16-19-4-6-20(7-5-19)18(2)32)25-14-23(35-3)12-13-26(25)31(17)28(34)21-8-10-22(29)11-9-21/h4-14H,15-16H2,1-3H3,(H,30,33)
InChIKeyVIGBCJCJCWDLPD-UHFFFAOYSA-N
MW488.97 g/mol
LogP5.36
Rot. Bonds7

About N-[(4-acetylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide

N-[(4-acetylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide (PubChem CID 10624880) has the molecular formula C28H25ClN2O4 and a molecular weight of 488.97 g/mol. Its IUPAC name is N-[(4-acetylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-acetylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
PubChem CID10624880
Molecular FormulaC28H25ClN2O4
Molecular Weight488.97 g/mol
Exact Mass488.15
IUPAC NameN-[(4-acetylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCc1ccc(C(C)=O)cc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H25ClN2O4/c1-17-24(15-27(33)30-16-19-4-6-20(7-5-19)18(2)32)25-14-23(35-3)12-13-26(25)31(17)28(34)21-8-10-22(29)11-9-21/h4-14H,15-16H2,1-3H3,(H,30,33)
InChIKeyVIGBCJCJCWDLPD-UHFFFAOYSA-N
XLogP5.36
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.97
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide?
The IUPAC name of N-[(4-acetylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide (CID 10624880) is N-[(4-acetylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide.
What is the SMILES notation for N-[(4-acetylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide?
The canonical SMILES for N-[(4-acetylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide is COc1ccc2c(c1)c(CC(=O)NCc1ccc(C(C)=O)cc1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-acetylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide?
The InChIKey is VIGBCJCJCWDLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O4/c1-17-24(15-27(33)30-16-19-4-6-20(7-5-19)18(2)32)25-14-23(35-3)12-13-26(25)31(17)28(34)21-8-10-22(29)11-9-21/h4-14H,15-16H2,1-3H3,(H,30,33).
What are the key properties of N-[(4-acetylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide?
N-[(4-acetylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide has a molecular weight of 488.97 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylphenyl)methyl]-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide is sourced from PubChem (CID 10624880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).