[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate

C19H19ClN2O5 — CID 8620835

IUPAC[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C19H19ClN2O5/c1-12(23)27-15-7-4-13(5-8-15)19(25)22(2)11-18(24)21-16-10-14(20)6-9-17(16)26-3/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyFJKGDGKBDPSPJU-UHFFFAOYSA-N
MW390.82 g/mol
LogP2.98
Rot. Bonds6

About [4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate

[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate (PubChem CID 8620835) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is [4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate
PubChem CID8620835
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C19H19ClN2O5/c1-12(23)27-15-7-4-13(5-8-15)19(25)22(2)11-18(24)21-16-10-14(20)6-9-17(16)26-3/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyFJKGDGKBDPSPJU-UHFFFAOYSA-N
XLogP2.98
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-propan-2-yloxybenzamide
CID 9438206
4-(2-amino-2-oxoethoxy)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 9089019
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 55330028
5,6-dichloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 55329725
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-3-nitrobenzamide
CID 9438078
[4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate
CID 8637864
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-4-(tetrazol-1-yl)benzamide
CID 55771254
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 55388575
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 8501233
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 55329720
4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55329890

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate?
The IUPAC name of [4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate (CID 8620835) is [4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate?
The canonical SMILES for [4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(OC(C)=O)cc1.
What is the InChIKey of [4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate?
The InChIKey is FJKGDGKBDPSPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-12(23)27-15-7-4-13(5-8-15)19(25)22(2)11-18(24)21-16-10-14(20)6-9-17(16)26-3/h4-10H,11H2,1-3H3,(H,21,24).
What are the key properties of [4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate?
[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate has a molecular weight of 390.82 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 8620835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).