[2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate

C26H20ClFN2O4 — CID 2385759

IUPAC[2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
SMILESO=C(COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C26H20ClFN2O4/c27-20-10-4-1-8-18(20)25(32)30-23(13-16-14-29-22-12-6-3-7-17(16)22)26(33)34-15-24(31)19-9-2-5-11-21(19)28/h1-12,14,23,29H,13,15H2,(H,30,32)/t23-/m1/s1
InChIKeyQNKCRUHOGXVIDH-HSZRJFAPSA-N
MW478.91 g/mol
LogP4.73
Rot. Bonds8

About [2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate

[2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate (PubChem CID 2385759) has the molecular formula C26H20ClFN2O4 and a molecular weight of 478.91 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
PubChem CID2385759
Molecular FormulaC26H20ClFN2O4
Molecular Weight478.91 g/mol
Exact Mass478.11
IUPAC Name[2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
SMILESO=C(COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C26H20ClFN2O4/c27-20-10-4-1-8-18(20)25(32)30-23(13-16-14-29-22-12-6-3-7-17(16)22)26(33)34-15-24(31)19-9-2-5-11-21(19)28/h1-12,14,23,29H,13,15H2,(H,30,32)/t23-/m1/s1
InChIKeyQNKCRUHOGXVIDH-HSZRJFAPSA-N
XLogP4.73
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.91
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 4184240
(2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 2304951
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 3515356
[2-(4-methylphenyl)-2-oxoethyl] (2R)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 2105219
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 3959526
methyl 2-[(2,4-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 3111811
(4-cyanophenyl)methyl 2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 5021294
methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 75130384
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 2362619
2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 78783619
N-[1-(2-acetylhydrazinyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 43011742
(2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate
CID 19003113

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate (CID 2385759) is [2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate is O=C(COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)c1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate?
The InChIKey is QNKCRUHOGXVIDH-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H20ClFN2O4/c27-20-10-4-1-8-18(20)25(32)30-23(13-16-14-29-22-12-6-3-7-17(16)22)26(33)34-15-24(31)19-9-2-5-11-21(19)28/h1-12,14,23,29H,13,15H2,(H,30,32)/t23-/m1/s1.
What are the key properties of [2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate?
[2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate has a molecular weight of 478.91 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 2385759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).