2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid

C26H24ClFN2O4 — CID 162659507

IUPAC2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(O[C@@H]3CCCNC3)c2F)c1
InChIInChI=1S/C26H24ClFN2O4/c27-21-11-10-20(24(28)25(21)34-19-8-4-12-29-15-19)16-6-3-7-18(13-16)26(33)30-22-9-2-1-5-17(22)14-23(31)32/h1-3,5-7,9-11,13,19,29H,4,8,12,14-15H2,(H,30,33)(H,31,32)/t19-/m1/s1
InChIKeyGFZGZLKOWGFBSB-LJQANCHMSA-N
MW482.94 g/mol
LogP5.16
Rot. Bonds7

About 2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid

2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid (PubChem CID 162659507) has the molecular formula C26H24ClFN2O4 and a molecular weight of 482.94 g/mol. Its IUPAC name is 2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid
PubChem CID162659507
Molecular FormulaC26H24ClFN2O4
Molecular Weight482.94 g/mol
Exact Mass482.14
IUPAC Name2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(O[C@@H]3CCCNC3)c2F)c1
InChIInChI=1S/C26H24ClFN2O4/c27-21-11-10-20(24(28)25(21)34-19-8-4-12-29-15-19)16-6-3-7-18(13-16)26(33)30-22-9-2-1-5-17(22)14-23(31)32/h1-3,5-7,9-11,13,19,29H,4,8,12,14-15H2,(H,30,33)(H,31,32)/t19-/m1/s1
InChIKeyGFZGZLKOWGFBSB-LJQANCHMSA-N
XLogP5.16
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.94
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid with MolForge

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Related Compounds

2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid
CID 162658251
3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide
CID 23908069
2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid
CID 119218458
2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 62535527
2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid
CID 106939316
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid
CID 170886796
(3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine
CID 66246609
[(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate
CID 79345565
N-[2-(cyclopropylmethyl)phenyl]benzamide
CID 91703615
2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzoyl]amino]phenyl]acetic acid
CID 138811017
N-(2-benzamidophenyl)piperidine-3-carboxamide;hydrochloride
CID 119282577

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid (CID 162659507) is 2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(O[C@@H]3CCCNC3)c2F)c1.
What is the InChIKey of 2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid?
The InChIKey is GFZGZLKOWGFBSB-LJQANCHMSA-N. The full InChI is InChI=1S/C26H24ClFN2O4/c27-21-11-10-20(24(28)25(21)34-19-8-4-12-29-15-19)16-6-3-7-18(13-16)26(33)30-22-9-2-1-5-17(22)14-23(31)32/h1-3,5-7,9-11,13,19,29H,4,8,12,14-15H2,(H,30,33)(H,31,32)/t19-/m1/s1.
What are the key properties of 2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid?
2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid has a molecular weight of 482.94 g/mol, XLogP of 5.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 162659507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).