C26H24ClNO4 — CID 155890095

IUPAC—
SMILESO=C(NC(CCCc1cccc(Cl)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24ClNO4/c27-18-9-5-7-17(15-18)8-6-14-24(25(29)30)28-26(31)32-16-23-21-12-3-1-10-19(21)20-11-2-4-13-22(20)23/h1-5,7,9-13,15,23-24H,6,8,14,16H2,(H,28,31)(H,29,30)
InChIKeyXVPJGXLHKVWQJO-UHFFFAOYSA-N
MW449.93 g/mol
LogP5.65
Rot. Bonds8

About

(PubChem CID 155890095) has the molecular formula C26H24ClNO4 and a molecular weight of 449.93 g/mol.

Molecular Properties

Compound Name
PubChem CID155890095
Molecular FormulaC26H24ClNO4
Molecular Weight449.93 g/mol
Exact Mass449.14
IUPAC Name—
SMILESO=C(NC(CCCc1cccc(Cl)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24ClNO4/c27-18-9-5-7-17(15-18)8-6-14-24(25(29)30)28-26(31)32-16-23-21-12-3-1-10-19(21)20-11-2-4-13-22(20)23/h1-5,7,9-13,15,23-24H,6,8,14,16H2,(H,28,31)(H,29,30)
InChIKeyXVPJGXLHKVWQJO-UHFFFAOYSA-N
XLogP5.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.93
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylphenyl)pentanoic acid
CID 154726742
CID 155889976
CID 155889976
(2S)-5-(3-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 154726576
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid
CID 154726183
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-methylphenyl)butanoic acid
CID 155128041
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 171397165
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(4-fluorophenyl)hexanoic acid
CID 171702896
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882587
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(6-phenylhexanoylamino)hexanoic acid
CID 71530257
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid
CID 118936086
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanedioic acid
CID 93478024

Frequently Asked Questions

What is the IUPAC name of ?
The IUPAC name of (CID 155890095) is not available.
What is the SMILES notation for ?
The canonical SMILES for is O=C(NC(CCCc1cccc(Cl)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of ?
The InChIKey is XVPJGXLHKVWQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO4/c27-18-9-5-7-17(15-18)8-6-14-24(25(29)30)28-26(31)32-16-23-21-12-3-1-10-19(21)20-11-2-4-13-22(20)23/h1-5,7,9-13,15,23-24H,6,8,14,16H2,(H,28,31)(H,29,30).
What are the key properties of ?
has a molecular weight of 449.93 g/mol, XLogP of 5.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for is sourced from PubChem (CID 155890095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).