N-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide

C32H28ClNO3 — CID 71161157

IUPACN-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide
SMILESCC(=O)C1(NC(=O)Cc2ccc(OCc3ccccc3)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C32H28ClNO3/c1-22(35)32(19-27-10-9-26(18-28(27)20-32)25-11-13-29(33)14-12-25)34-31(36)17-23-7-15-30(16-8-23)37-21-24-5-3-2-4-6-24/h2-16,18H,17,19-21H2,1H3,(H,34,36)
InChIKeyGCARHGOGDVASCC-UHFFFAOYSA-N
MW510.03 g/mol
LogP6.37
Rot. Bonds8

About N-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide

N-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide (PubChem CID 71161157) has the molecular formula C32H28ClNO3 and a molecular weight of 510.03 g/mol. Its IUPAC name is N-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide
PubChem CID71161157
Molecular FormulaC32H28ClNO3
Molecular Weight510.03 g/mol
Exact Mass509.18
IUPAC NameN-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide
SMILESCC(=O)C1(NC(=O)Cc2ccc(OCc3ccccc3)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C32H28ClNO3/c1-22(35)32(19-27-10-9-26(18-28(27)20-32)25-11-13-29(33)14-12-25)34-31(36)17-23-7-15-30(16-8-23)37-21-24-5-3-2-4-6-24/h2-16,18H,17,19-21H2,1H3,(H,34,36)
InChIKeyGCARHGOGDVASCC-UHFFFAOYSA-N
XLogP6.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.03
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-2-[[2-[4-[(3-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 59335856
ethyl 5-(4-chlorophenyl)-2-[[2-(3-phenylmethoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate
CID 68666852
2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid
CID 59335621
5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 59335787
5-(4-chlorophenyl)-2-[[2-[4-[(2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 59335670
ethyl 5-(4-chlorophenyl)-2-[[2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylate
CID 68667246
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate
CID 68666302
1-[(4-chlorophenyl)methyl]-4-(4-phenylmethoxyphenyl)pyrrole-2-carboxylic acid
CID 25030432
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
3-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 143233810

Frequently Asked Questions

What is the IUPAC name of N-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of N-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide (CID 71161157) is N-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for N-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide is CC(=O)C1(NC(=O)Cc2ccc(OCc3ccccc3)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1.
What is the InChIKey of N-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is GCARHGOGDVASCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28ClNO3/c1-22(35)32(19-27-10-9-26(18-28(27)20-32)25-11-13-29(33)14-12-25)34-31(36)17-23-7-15-30(16-8-23)37-21-24-5-3-2-4-6-24/h2-16,18H,17,19-21H2,1H3,(H,34,36).
What are the key properties of N-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide?
N-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 510.03 g/mol, XLogP of 6.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 71161157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).