2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide

C19H21ClN2O2 — CID 95350250

IUPAC2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
SMILESO=C(COc1ccc(Cl)c2ccccc12)N[C@@H]1CCN(C2CC2)C1
InChIInChI=1S/C19H21ClN2O2/c20-17-7-8-18(16-4-2-1-3-15(16)17)24-12-19(23)21-13-9-10-22(11-13)14-5-6-14/h1-4,7-8,13-14H,5-6,9-12H2,(H,21,23)/t13-/m1/s1
InChIKeyYVGAATBEVCPNCD-CYBMUJFWSA-N
MW344.84 g/mol
LogP3.22
Rot. Bonds5

About 2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide

2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide (PubChem CID 95350250) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
PubChem CID95350250
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
SMILESO=C(COc1ccc(Cl)c2ccccc12)N[C@@H]1CCN(C2CC2)C1
InChIInChI=1S/C19H21ClN2O2/c20-17-7-8-18(16-4-2-1-3-15(16)17)24-12-19(23)21-13-9-10-22(11-13)14-5-6-14/h1-4,7-8,13-14H,5-6,9-12H2,(H,21,23)/t13-/m1/s1
InChIKeyYVGAATBEVCPNCD-CYBMUJFWSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 52504513
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732373
N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide
CID 45214844
2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
CID 63905355
N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide
CID 31364839
N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
CID 18156311
2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
CID 27745141
2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 38931003
N-(1-cyclopropylpyrrolidin-3-yl)-3-(2,3-dichlorophenyl)propanamide
CID 47076999
(2R)-2-(2-chlorophenoxy)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
CID 94797430
2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 112779040
2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120945408

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide (CID 95350250) is 2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide is O=C(COc1ccc(Cl)c2ccccc12)N[C@@H]1CCN(C2CC2)C1.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide?
The InChIKey is YVGAATBEVCPNCD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-17-7-8-18(16-4-2-1-3-15(16)17)24-12-19(23)21-13-9-10-22(11-13)14-5-6-14/h1-4,7-8,13-14H,5-6,9-12H2,(H,21,23)/t13-/m1/s1.
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide?
2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide has a molecular weight of 344.84 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 95350250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).