[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate

C19H20ClNO4 — CID 7193277

IUPAC[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
SMILESCc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H20ClNO4/c1-12(2)25-16-7-4-14(5-8-16)19(23)24-11-18(22)21-17-9-6-15(20)10-13(17)3/h4-10,12H,11H2,1-3H3,(H,21,22)
InChIKeyOUUHBPUCKNFLII-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.23
Rot. Bonds6

About [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate

[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate (PubChem CID 7193277) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
PubChem CID7193277
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
SMILESCc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H20ClNO4/c1-12(2)25-16-7-4-14(5-8-16)19(23)24-11-18(22)21-17-9-6-15(20)10-13(17)3/h4-10,12H,11H2,1-3H3,(H,21,22)
InChIKeyOUUHBPUCKNFLII-UHFFFAOYSA-N
XLogP4.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193519
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193460
[2-(4-bromo-2,5-dimethylanilino)-2-oxoethyl] 4-chlorobenzoate
CID 9067591
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2662154
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-methylbenzoate
CID 956324
[2-(2-methylsulfanylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193491
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-propan-2-yloxybenzoate
CID 2112543
4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide
CID 55886913
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2508491
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 7351802
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7569529
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193525

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate (CID 7193277) is [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate.
What is the SMILES notation for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The canonical SMILES for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate is Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The InChIKey is OUUHBPUCKNFLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-12(2)25-16-7-4-14(5-8-16)19(23)24-11-18(22)21-17-9-6-15(20)10-13(17)3/h4-10,12H,11H2,1-3H3,(H,21,22).
What are the key properties of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate has a molecular weight of 361.83 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate is sourced from PubChem (CID 7193277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).