N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide

C19H19ClN2O2 — CID 110004624

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)NC(CO)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C19H19ClN2O2/c1-22-11-14(16-4-2-3-5-18(16)22)10-19(24)21-17(12-23)13-6-8-15(20)9-7-13/h2-9,11,17,23H,10,12H2,1H3,(H,21,24)
InChIKeyQTCVXVZRXIQSEW-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.22
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 110004624) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID110004624
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)NC(CO)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C19H19ClN2O2/c1-22-11-14(16-4-2-3-5-18(16)22)10-19(24)21-17(12-23)13-6-8-15(20)9-7-13/h2-9,11,17,23H,10,12H2,1H3,(H,21,24)
InChIKeyQTCVXVZRXIQSEW-UHFFFAOYSA-N
XLogP3.22
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106
N-(5-chloro-2-pyridinyl)-2-(1-methylindol-3-yl)acetamide
CID 4568690
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-hydroxyphenyl)acetamide
CID 110004632
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide
CID 110004284
3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide
CID 42802908
2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide
CID 110004204
N-(2-aminopropyl)-2-(1-methylindol-3-yl)acetamide
CID 110832860
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
CID 110004453
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(1,3-dimethylpyrazol-4-yl)propanamide
CID 110004583
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide (CID 110004624) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide is Cn1cc(CC(=O)NC(CO)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is QTCVXVZRXIQSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-22-11-14(16-4-2-3-5-18(16)22)10-19(24)21-17(12-23)13-6-8-15(20)9-7-13/h2-9,11,17,23H,10,12H2,1H3,(H,21,24).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 342.83 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 110004624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).