2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide

C19H21ClN2O4 — CID 8935295

IUPAC2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(OCCNC(=O)[C@H](C)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O4/c1-13(22-19(24)16-5-3-4-6-17(16)20)18(23)21-11-12-26-15-9-7-14(25-2)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)/t13-/m0/s1
InChIKeyXGNRDQFGTIFBKL-ZDUSSCGKSA-N
MW376.84 g/mol
LogP2.66
Rot. Bonds8

About 2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 8935295) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
PubChem CID8935295
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(OCCNC(=O)[C@H](C)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O4/c1-13(22-19(24)16-5-3-4-6-17(16)20)18(23)21-11-12-26-15-9-7-14(25-2)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)/t13-/m0/s1
InChIKeyXGNRDQFGTIFBKL-ZDUSSCGKSA-N
XLogP2.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2S)-1-[2-(4-chlorophenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 40718205
N-[1-[2-(4-chlorophenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 78801175
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
2-chloro-N-[2-[[N-[2-(4-methoxyphenoxy)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111409987
2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide
CID 99779705
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
2-(4-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 2575812
2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate
CID 2575810
2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55343742
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide (CID 8935295) is 2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide is COc1ccc(OCCNC(=O)[C@H](C)NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is XGNRDQFGTIFBKL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-13(22-19(24)16-5-3-4-6-17(16)20)18(23)21-11-12-26-15-9-7-14(25-2)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)/t13-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 376.84 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 8935295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).