[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate

C19H19ClN2O5 — CID 2636872

IUPAC[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C19H19ClN2O5/c1-11-7-16(17(26-3)9-15(11)20)22-18(24)10-27-19(25)13-5-4-6-14(8-13)21-12(2)23/h4-9H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyCSRLNEQXIRDSGC-UHFFFAOYSA-N
MW390.82 g/mol
LogP3.41
Rot. Bonds6

About [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate

[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate (PubChem CID 2636872) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate
PubChem CID2636872
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C19H19ClN2O5/c1-11-7-16(17(26-3)9-15(11)20)22-18(24)10-27-19(25)13-5-4-6-14(8-13)21-12(2)23/h4-9H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyCSRLNEQXIRDSGC-UHFFFAOYSA-N
XLogP3.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23773445
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582184
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3,5-ditert-butylbenzoate
CID 2344672
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate
CID 42984985
3-O-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860657
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 7842607
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2638255
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate
CID 9270970
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 28566936
[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 41173659

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate?
The IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate (CID 2636872) is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate.
What is the SMILES notation for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate?
The canonical SMILES for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate is COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate?
The InChIKey is CSRLNEQXIRDSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-11-7-16(17(26-3)9-15(11)20)22-18(24)10-27-19(25)13-5-4-6-14(8-13)21-12(2)23/h4-9H,10H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate?
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate has a molecular weight of 390.82 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate is sourced from PubChem (CID 2636872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).