2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide

C21H25ClN2O5 — CID 55869434

IUPAC2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
SMILESCOCCOc1ccc(C(C)NC(=O)CNC(=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C21H25ClN2O5/c1-14(15-8-9-18(19(12-15)28-3)29-11-10-27-2)24-20(25)13-23-21(26)16-6-4-5-7-17(16)22/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyFIHGOBLTAZJYQX-UHFFFAOYSA-N
MW420.89 g/mol
LogP2.98
Rot. Bonds10

About 2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide

2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide (PubChem CID 55869434) has the molecular formula C21H25ClN2O5 and a molecular weight of 420.89 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
PubChem CID55869434
Molecular FormulaC21H25ClN2O5
Molecular Weight420.89 g/mol
Exact Mass420.15
IUPAC Name2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
SMILESCOCCOc1ccc(C(C)NC(=O)CNC(=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C21H25ClN2O5/c1-14(15-8-9-18(19(12-15)28-3)29-11-10-27-2)24-20(25)13-23-21(26)16-6-4-5-7-17(16)22/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyFIHGOBLTAZJYQX-UHFFFAOYSA-N
XLogP2.98
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9418929
2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 55845776
2,4-dichloro-N-[2-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 46415115
3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 108789414
2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9218518
3-amino-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]butanamide
CID 119722964
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
CID 55748194
5-bromo-2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 55748470
2-chloro-N-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9164728
ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
CID 42959968
2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46448294
2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 17406382

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide (CID 55869434) is 2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide is COCCOc1ccc(C(C)NC(=O)CNC(=O)c2ccccc2Cl)cc1OC.
What is the InChIKey of 2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide?
The InChIKey is FIHGOBLTAZJYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5/c1-14(15-8-9-18(19(12-15)28-3)29-11-10-27-2)24-20(25)13-23-21(26)16-6-4-5-7-17(16)22/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide has a molecular weight of 420.89 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55869434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).