N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide

C15H18ClNO2 — CID 122561612

IUPACN-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide
SMILESO=C(CC1CCOC1)NC1(c2ccccc2Cl)CC1
InChIInChI=1S/C15H18ClNO2/c16-13-4-2-1-3-12(13)15(6-7-15)17-14(18)9-11-5-8-19-10-11/h1-4,11H,5-10H2,(H,17,18)
InChIKeyITNDXFVWAJSZGB-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.87
Rot. Bonds4

About N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide

N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide (PubChem CID 122561612) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide
PubChem CID122561612
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide
SMILESO=C(CC1CCOC1)NC1(c2ccccc2Cl)CC1
InChIInChI=1S/C15H18ClNO2/c16-13-4-2-1-3-12(13)15(6-7-15)17-14(18)9-11-5-8-19-10-11/h1-4,11H,5-10H2,(H,17,18)
InChIKeyITNDXFVWAJSZGB-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide
CID 125440939
N-[1-(4-methylphenyl)cyclopropyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 125442413
N-(1-methylcyclopropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 130676396
N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 125444862
N-(1-cyclopentylcyclopropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 125446759
N-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72872655
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 97218335
N-(3,3-diphenylpropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126442635
N-[3-[[2-(oxolan-3-yl)acetyl]amino]oxetan-3-yl]thiophene-2-carboxamide
CID 161136369
2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid
CID 119178898
N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126789596

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide (CID 122561612) is N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide is O=C(CC1CCOC1)NC1(c2ccccc2Cl)CC1.
What is the InChIKey of N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide?
The InChIKey is ITNDXFVWAJSZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c16-13-4-2-1-3-12(13)15(6-7-15)17-14(18)9-11-5-8-19-10-11/h1-4,11H,5-10H2,(H,17,18).
What are the key properties of N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide?
N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide has a molecular weight of 279.77 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide is sourced from PubChem (CID 122561612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).