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

C15H13Cl2NO2 — CID 65127418

IUPAC(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate
SMILESO=C(CNc1cccc(Cl)c1)OCc1cccc(Cl)c1
InChIInChI=1S/C15H13Cl2NO2/c16-12-4-1-3-11(7-12)10-20-15(19)9-18-14-6-2-5-13(17)8-14/h1-8,18H,9-10H2
InChIKeyDTPAFWLKISFZAE-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.15
Rot. Bonds5

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

(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate (PubChem CID 65127418) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 2-(3-chloroanilino)acetate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate
PubChem CID65127418
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate
SMILESO=C(CNc1cccc(Cl)c1)OCc1cccc(Cl)c1
InChIInChI=1S/C15H13Cl2NO2/c16-12-4-1-3-11(7-12)10-20-15(19)9-18-14-6-2-5-13(17)8-14/h1-8,18H,9-10H2
InChIKeyDTPAFWLKISFZAE-UHFFFAOYSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate
CID 61280033
(4-bromophenyl)methyl 2-(3-chloroanilino)acetate
CID 82824756
propyl 2-(3-chloroanilino)acetate
CID 60835010
(4-chlorophenyl)methyl 2-anilinoacetate
CID 65127190
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
octyl 2-(3-chloroanilino)acetate
CID 63541877
benzyl 2-[3-(3-chlorophenyl)propanoylamino]acetate
CID 51280706
4-methylpentyl 2-(3-chloroanilino)acetate
CID 61304082
(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419
1-(3-chloroanilino)propan-2-one
CID 21364413
2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide
CID 10732289
(3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate
CID 7805492

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 2-(3-chloroanilino)acetate?
The IUPAC name of (3-chlorophenyl)methyl 2-(3-chloroanilino)acetate (CID 65127418) is (3-chlorophenyl)methyl 2-(3-chloroanilino)acetate.
What is the SMILES notation for (3-chlorophenyl)methyl 2-(3-chloroanilino)acetate?
The canonical SMILES for (3-chlorophenyl)methyl 2-(3-chloroanilino)acetate is O=C(CNc1cccc(Cl)c1)OCc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)methyl 2-(3-chloroanilino)acetate?
The InChIKey is DTPAFWLKISFZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-12-4-1-3-11(7-12)10-20-15(19)9-18-14-6-2-5-13(17)8-14/h1-8,18H,9-10H2.
What are the key properties of (3-chlorophenyl)methyl 2-(3-chloroanilino)acetate?
(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate has a molecular weight of 310.18 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 2-(3-chloroanilino)acetate is sourced from PubChem (CID 65127418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).