propyl 2-(3-chloroanilino)acetate

C11H14ClNO2 — CID 60835010

IUPACpropyl 2-(3-chloroanilino)acetate
SMILESCCCOC(=O)CNc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-2-6-15-11(14)8-13-10-5-3-4-9(12)7-10/h3-5,7,13H,2,6,8H2,1H3
InChIKeyRXOOBEJOTWTYJD-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.71
Rot. Bonds5

About propyl 2-(3-chloroanilino)acetate

propyl 2-(3-chloroanilino)acetate (PubChem CID 60835010) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is propyl 2-(3-chloroanilino)acetate.

Molecular Properties

Compound Namepropyl 2-(3-chloroanilino)acetate
PubChem CID60835010
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namepropyl 2-(3-chloroanilino)acetate
SMILESCCCOC(=O)CNc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-2-6-15-11(14)8-13-10-5-3-4-9(12)7-10/h3-5,7,13H,2,6,8H2,1H3
InChIKeyRXOOBEJOTWTYJD-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

octyl 2-(3-chloroanilino)acetate
CID 63541877
4-methylpentyl 2-(3-chloroanilino)acetate
CID 61304082
(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate
CID 65127418
1-(3-chloroanilino)propan-2-one
CID 21364413
(4-bromophenyl)methyl 2-(3-chloroanilino)acetate
CID 82824756
(3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate
CID 61280033
butyl 2-(3-acetamidoanilino)acetate
CID 54917754
2-(3-chloroanilino)-N,N-dipropylacetamide
CID 39367463
propyl 2-(4-hydroxyanilino)acetate
CID 22630351
2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
butyl 2-(3-chloro-4-fluoroanilino)acetate
CID 83109062
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292

Frequently Asked Questions

What is the IUPAC name of propyl 2-(3-chloroanilino)acetate?
The IUPAC name of propyl 2-(3-chloroanilino)acetate (CID 60835010) is propyl 2-(3-chloroanilino)acetate.
What is the SMILES notation for propyl 2-(3-chloroanilino)acetate?
The canonical SMILES for propyl 2-(3-chloroanilino)acetate is CCCOC(=O)CNc1cccc(Cl)c1.
What is the InChIKey of propyl 2-(3-chloroanilino)acetate?
The InChIKey is RXOOBEJOTWTYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-2-6-15-11(14)8-13-10-5-3-4-9(12)7-10/h3-5,7,13H,2,6,8H2,1H3.
What are the key properties of propyl 2-(3-chloroanilino)acetate?
propyl 2-(3-chloroanilino)acetate has a molecular weight of 227.69 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(3-chloroanilino)acetate is sourced from PubChem (CID 60835010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).