(3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate

C16H16ClNO3 — CID 61280033

IUPAC(3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate
SMILESCOc1cccc(COC(=O)CNc2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClNO3/c1-20-15-7-2-4-12(8-15)11-21-16(19)10-18-14-6-3-5-13(17)9-14/h2-9,18H,10-11H2,1H3
InChIKeyMFEFIXIZHNOFJG-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.50
Rot. Bonds6

About (3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate

(3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate (PubChem CID 61280033) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate
PubChem CID61280033
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name(3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate
SMILESCOc1cccc(COC(=O)CNc2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClNO3/c1-20-15-7-2-4-12(8-15)11-21-16(19)10-18-14-6-3-5-13(17)9-14/h2-9,18H,10-11H2,1H3
InChIKeyMFEFIXIZHNOFJG-UHFFFAOYSA-N
XLogP3.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate
CID 65127418
(4-bromophenyl)methyl 2-(3-chloroanilino)acetate
CID 82824756
(3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107436906
propyl 2-(3-chloroanilino)acetate
CID 60835010
[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840241
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001073
octyl 2-(3-chloroanilino)acetate
CID 63541877
(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419
4-methylpentyl 2-(3-chloroanilino)acetate
CID 61304082
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate?
The IUPAC name of (3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate (CID 61280033) is (3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate.
What is the SMILES notation for (3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate?
The canonical SMILES for (3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate is COc1cccc(COC(=O)CNc2cccc(Cl)c2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate?
The InChIKey is MFEFIXIZHNOFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-15-7-2-4-12(8-15)11-21-16(19)10-18-14-6-3-5-13(17)9-14/h2-9,18H,10-11H2,1H3.
What are the key properties of (3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate?
(3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate has a molecular weight of 305.76 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate is sourced from PubChem (CID 61280033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).