[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate

C19H20ClN3O5 — CID 55316100

IUPAC[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate
SMILESCCNC(=O)NC(=O)C(OC(=O)c1cc(Cl)c(N)cc1OC)c1ccccc1
InChIInChI=1S/C19H20ClN3O5/c1-3-22-19(26)23-17(24)16(11-7-5-4-6-8-11)28-18(25)12-9-13(20)14(21)10-15(12)27-2/h4-10,16H,3,21H2,1-2H3,(H2,22,23,24,26)
InChIKeyFHMSHTWDZSYQGG-UHFFFAOYSA-N
MW405.84 g/mol
LogP2.67
Rot. Bonds6

About [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate

[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate (PubChem CID 55316100) has the molecular formula C19H20ClN3O5 and a molecular weight of 405.84 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate
PubChem CID55316100
Molecular FormulaC19H20ClN3O5
Molecular Weight405.84 g/mol
Exact Mass405.11
IUPAC Name[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate
SMILESCCNC(=O)NC(=O)C(OC(=O)c1cc(Cl)c(N)cc1OC)c1ccccc1
InChIInChI=1S/C19H20ClN3O5/c1-3-22-19(26)23-17(24)16(11-7-5-4-6-8-11)28-18(25)12-9-13(20)14(21)10-15(12)27-2/h4-10,16H,3,21H2,1-2H3,(H2,22,23,24,26)
InChIKeyFHMSHTWDZSYQGG-UHFFFAOYSA-N
XLogP2.67
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 7832619
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 7775281
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3,4-trimethoxybenzoate
CID 8611552
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-amino-4-fluorobenzoate
CID 55424594
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-hydroxy-5-methoxybenzoate
CID 33278355
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3-dimethylbenzoate
CID 7765259
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-fluorobenzoate
CID 7864310
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-aminobenzoate
CID 7781331
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8878447
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethylbenzoate
CID 8647828
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylbenzoate
CID 8526571
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7862107

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate (CID 55316100) is [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate is CCNC(=O)NC(=O)C(OC(=O)c1cc(Cl)c(N)cc1OC)c1ccccc1.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate?
The InChIKey is FHMSHTWDZSYQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O5/c1-3-22-19(26)23-17(24)16(11-7-5-4-6-8-11)28-18(25)12-9-13(20)14(21)10-15(12)27-2/h4-10,16H,3,21H2,1-2H3,(H2,22,23,24,26).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate?
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate has a molecular weight of 405.84 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate is sourced from PubChem (CID 55316100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).