2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide

C20H19ClN2O2 — CID 39338521

IUPAC2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N(Cc1cccc2[nH]ccc12)C1CC1
InChIInChI=1S/C20H19ClN2O2/c21-15-4-8-17(9-5-15)25-13-20(24)23(16-6-7-16)12-14-2-1-3-19-18(14)10-11-22-19/h1-5,8-11,16,22H,6-7,12-13H2
InChIKeyVYNWBRKHONGQFH-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.39
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide

2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide (PubChem CID 39338521) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide
PubChem CID39338521
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N(Cc1cccc2[nH]ccc12)C1CC1
InChIInChI=1S/C20H19ClN2O2/c21-15-4-8-17(9-5-15)25-13-20(24)23(16-6-7-16)12-14-2-1-3-19-18(14)10-11-22-19/h1-5,8-11,16,22H,6-7,12-13H2
InChIKeyVYNWBRKHONGQFH-UHFFFAOYSA-N
XLogP4.39
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide
CID 39341773
N-cyclopropyl-2-(4-ethoxyphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013750
2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide
CID 110733008
N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide
CID 39335113
2-(4-chlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 40643582
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-(4-chloro-3-methylphenoxy)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
CID 55391124
N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide
CID 66182970
2-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 35128410
2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide
CID 71801512
2-[cyclopentyl(1H-indol-4-ylmethyl)amino]acetamide
CID 84593179
2-(3-chloro-4-fluorophenoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 55555870

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide (CID 39338521) is 2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide is O=C(COc1ccc(Cl)cc1)N(Cc1cccc2[nH]ccc12)C1CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide?
The InChIKey is VYNWBRKHONGQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-15-4-8-17(9-5-15)25-13-20(24)23(16-6-7-16)12-14-2-1-3-19-18(14)10-11-22-19/h1-5,8-11,16,22H,6-7,12-13H2.
What are the key properties of 2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide?
2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide has a molecular weight of 354.84 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-cyclopropyl-N-(1H-indol-4-ylmethyl)acetamide is sourced from PubChem (CID 39338521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).