2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid

C33H28ClFN2O5 — CID 59335621

IUPAC2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1(NC(=O)Cc2ccc(OCc3ccc(F)cc3)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C33H28ClFN2O5/c34-27-9-7-23(8-10-27)24-5-6-25-17-33(18-26(25)16-24,32(41)36-19-31(39)40)37-30(38)15-21-3-13-29(14-4-21)42-20-22-1-11-28(35)12-2-22/h1-14,16H,15,17-20H2,(H,36,41)(H,37,38)(H,39,40)
InChIKeySMQAJNAVXNEFLM-UHFFFAOYSA-N
MW587.05 g/mol
LogP5.12
Rot. Bonds10

About 2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid

2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid (PubChem CID 59335621) has the molecular formula C33H28ClFN2O5 and a molecular weight of 587.05 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid
PubChem CID59335621
Molecular FormulaC33H28ClFN2O5
Molecular Weight587.05 g/mol
Exact Mass586.17
IUPAC Name2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1(NC(=O)Cc2ccc(OCc3ccc(F)cc3)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C33H28ClFN2O5/c34-27-9-7-23(8-10-27)24-5-6-25-17-33(18-26(25)16-24,32(41)36-19-31(39)40)37-30(38)15-21-3-13-29(14-4-21)42-20-22-1-11-28(35)12-2-22/h1-14,16H,15,17-20H2,(H,36,41)(H,37,38)(H,39,40)
InChIKeySMQAJNAVXNEFLM-UHFFFAOYSA-N
XLogP5.12
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.05
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid with MolForge

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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
N-[2-acetyl-5-(4-chlorophenyl)-1,3-dihydroinden-2-yl]-2-(4-phenylmethoxyphenyl)acetamide
CID 71161157
3-[[7-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-3,5-dihydro-1H-azulene-2-carbonyl]amino]propanoic acid
CID 143278053
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
2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid
CID 59335689
ethyl 5-(4-chlorophenyl)-2-[[2-(3-phenylmethoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate
CID 68666852
ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methoxyphenyl)-1,3-dihydroindene-2-carboxylate
CID 68666302
6-(4-chlorophenyl)-3-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1-benzofuran-2-carboxylic acid
CID 59335782
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]-3-[(4-fluorophenyl)methyl]urea
CID 108988928
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride
CID 17292549

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid (CID 59335621) is 2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1(NC(=O)Cc2ccc(OCc3ccc(F)cc3)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid?
The InChIKey is SMQAJNAVXNEFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28ClFN2O5/c34-27-9-7-23(8-10-27)24-5-6-25-17-33(18-26(25)16-24,32(41)36-19-31(39)40)37-30(38)15-21-3-13-29(14-4-21)42-20-22-1-11-28(35)12-2-22/h1-14,16H,15,17-20H2,(H,36,41)(H,37,38)(H,39,40).
What are the key properties of 2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid?
2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid has a molecular weight of 587.05 g/mol, XLogP of 5.12, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-2-[[2-[4-[(4-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 59335621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).