2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C21H25ClN2O4 — CID 55343742

IUPAC2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1OCCNC(=O)C(NC(=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C21H25ClN2O4/c1-14(2)19(24-20(25)15-8-4-5-9-16(15)22)21(26)23-12-13-28-18-11-7-6-10-17(18)27-3/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyOGHSMRCTUVRCNF-UHFFFAOYSA-N
MW404.89 g/mol
LogP3.30
Rot. Bonds9

About 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide

2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 55343742) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID55343742
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1OCCNC(=O)C(NC(=O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C21H25ClN2O4/c1-14(2)19(24-20(25)15-8-4-5-9-16(15)22)21(26)23-12-13-28-18-11-7-6-10-17(18)27-3/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyOGHSMRCTUVRCNF-UHFFFAOYSA-N
XLogP3.30
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide 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

2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide
CID 33249575
N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46419166
N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 78799665
2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 47100101
2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 2520945
2-chloro-N-[1-[[2-[2-(diethylamino)ethoxy]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55715360
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
2-chloro-N-[3-methyl-1-(4-methylpentylamino)-1-oxobutan-2-yl]benzamide
CID 46447854
2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46448294
2-chloro-N-[1-(3,3-diphenylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 4837433
2-chloro-N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119506529
2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119429462

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 55343742) is 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide is COc1ccccc1OCCNC(=O)C(NC(=O)c1ccccc1Cl)C(C)C.
What is the InChIKey of 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is OGHSMRCTUVRCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-14(2)19(24-20(25)15-8-4-5-9-16(15)22)21(26)23-12-13-28-18-11-7-6-10-17(18)27-3/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 404.89 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55343742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).