[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate

C17H16ClNO5 — CID 2538476

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(CO)cc1
InChIInChI=1S/C17H16ClNO5/c1-23-15-7-6-13(18)8-14(15)19-16(21)10-24-17(22)12-4-2-11(9-20)3-5-12/h2-8,20H,9-10H2,1H3,(H,19,21)
InChIKeyVOESYAVCQWLPFN-UHFFFAOYSA-N
MW349.77 g/mol
LogP2.64
Rot. Bonds6

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate (PubChem CID 2538476) has the molecular formula C17H16ClNO5 and a molecular weight of 349.77 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
PubChem CID2538476
Molecular FormulaC17H16ClNO5
Molecular Weight349.77 g/mol
Exact Mass349.07
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(CO)cc1
InChIInChI=1S/C17H16ClNO5/c1-23-15-7-6-13(18)8-14(15)19-16(21)10-24-17(22)12-4-2-11(9-20)3-5-12/h2-8,20H,9-10H2,1H3,(H,19,21)
InChIKeyVOESYAVCQWLPFN-UHFFFAOYSA-N
XLogP2.64
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2592675
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
[2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 25442275
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-amino-3-nitrobenzoate
CID 40557216
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23831428
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2458837
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2616368
[2-(4-acetylanilino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 3279488
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 2557205
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 2567217
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-cyanobenzoate
CID 2626302
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671876

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate (CID 2538476) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate is COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(CO)cc1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The InChIKey is VOESYAVCQWLPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO5/c1-23-15-7-6-13(18)8-14(15)19-16(21)10-24-17(22)12-4-2-11(9-20)3-5-12/h2-8,20H,9-10H2,1H3,(H,19,21).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate has a molecular weight of 349.77 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate is sourced from PubChem (CID 2538476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).