N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide

C18H16ClFN2O2 — CID 110931259

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2cc(F)ccc12)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN2O2/c19-13-3-1-11(2-4-13)17(23)10-22-18(24)7-12-9-21-16-8-14(20)5-6-15(12)16/h1-6,8-9,17,21,23H,7,10H2,(H,22,24)
InChIKeyCJAZEQSLIYGUAQ-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide (PubChem CID 110931259) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
PubChem CID110931259
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2cc(F)ccc12)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN2O2/c19-13-3-1-11(2-4-13)17(23)10-22-18(24)7-12-9-21-16-8-14(20)5-6-15(12)16/h1-6,8-9,17,21,23H,7,10H2,(H,22,24)
InChIKeyCJAZEQSLIYGUAQ-UHFFFAOYSA-N
XLogP3.35
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 110910978
2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 110888960
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 110885410
2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426163
N-[2-(dimethylamino)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209367
2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide
CID 113209373
2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436084
2-[(4-chloro-2-fluorobenzoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoic acid
CID 146075876
2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 90534709
2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 110888862
2-(6-fluoro-1H-indol-3-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 111464326
2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide
CID 111441170

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide (CID 110931259) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2cc(F)ccc12)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide?
The InChIKey is CJAZEQSLIYGUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-13-3-1-11(2-4-13)17(23)10-22-18(24)7-12-9-21-16-8-14(20)5-6-15(12)16/h1-6,8-9,17,21,23H,7,10H2,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide has a molecular weight of 346.79 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110931259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).