methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate

C14H18ClNO3 — CID 82837161

IUPACmethyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate
SMILESCOC(=O)C(Nc1cccc(Cl)c1)C1CCC(C)O1
InChIInChI=1S/C14H18ClNO3/c1-9-6-7-12(19-9)13(14(17)18-2)16-11-5-3-4-10(15)8-11/h3-5,8-9,12-13,16H,6-7H2,1-2H3
InChIKeyYVJPBUURESRXJP-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.86
Rot. Bonds4

About methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate

methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate (PubChem CID 82837161) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate
PubChem CID82837161
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Namemethyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate
SMILESCOC(=O)C(Nc1cccc(Cl)c1)C1CCC(C)O1
InChIInChI=1S/C14H18ClNO3/c1-9-6-7-12(19-9)13(14(17)18-2)16-11-5-3-4-10(15)8-11/h3-5,8-9,12-13,16H,6-7H2,1-2H3
InChIKeyYVJPBUURESRXJP-UHFFFAOYSA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate
CID 82840137
2-(3-bromo-4-chloroanilino)-2-(5-methyloxolan-2-yl)acetamide
CID 82837092
(3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 115811426
2-(3-chloroanilino)-2-cyclohexylacetamide
CID 54892064
2-(3-chloroanilino)-2-cyclopentylacetic acid
CID 55035047
2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide
CID 54892109
methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate
CID 60991681
[2-(3-chlorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
CID 105283507
methyl 2-cyclopropyl-2-[3-(1,1-difluoroethyl)anilino]acetate
CID 167814164
methyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate
CID 82838186
methyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate
CID 82837837
2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile
CID 82838217

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate?
The IUPAC name of methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate (CID 82837161) is methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate.
What is the SMILES notation for methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate?
The canonical SMILES for methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate is COC(=O)C(Nc1cccc(Cl)c1)C1CCC(C)O1.
What is the InChIKey of methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate?
The InChIKey is YVJPBUURESRXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-9-6-7-12(19-9)13(14(17)18-2)16-11-5-3-4-10(15)8-11/h3-5,8-9,12-13,16H,6-7H2,1-2H3.
What are the key properties of methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate?
methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate has a molecular weight of 283.75 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate is sourced from PubChem (CID 82837161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).