2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide

C21H25ClN2O4 — CID 9418929

IUPAC2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)CNC(=O)c2ccccc2Cl)cc1OCC
InChIInChI=1S/C21H25ClN2O4/c1-4-27-18-11-10-15(12-19(18)28-5-2)14(3)24-20(25)13-23-21(26)16-8-6-7-9-17(16)22/h6-12,14H,4-5,13H2,1-3H3,(H,23,26)(H,24,25)/t14-/m1/s1
InChIKeyRIGIXJOVPQFWDY-CQSZACIVSA-N
MW404.89 g/mol
LogP3.74
Rot. Bonds9

About 2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide

2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide (PubChem CID 9418929) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is 2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
PubChem CID9418929
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)CNC(=O)c2ccccc2Cl)cc1OCC
InChIInChI=1S/C21H25ClN2O4/c1-4-27-18-11-10-15(12-19(18)28-5-2)14(3)24-20(25)13-23-21(26)16-8-6-7-9-17(16)22/h6-12,14H,4-5,13H2,1-3H3,(H,23,26)(H,24,25)/t14-/m1/s1
InChIKeyRIGIXJOVPQFWDY-CQSZACIVSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 55869434
2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 55845776
2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671
2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9218518
N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9418935
2-chloro-N-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9164728
2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46448294
N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46414977
2-ethoxy-N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 46654191
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 9474002
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide (CID 9418929) is 2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide is CCOc1ccc([C@@H](C)NC(=O)CNC(=O)c2ccccc2Cl)cc1OCC.
What is the InChIKey of 2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is RIGIXJOVPQFWDY-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-4-27-18-11-10-15(12-19(18)28-5-2)14(3)24-20(25)13-23-21(26)16-8-6-7-9-17(16)22/h6-12,14H,4-5,13H2,1-3H3,(H,23,26)(H,24,25)/t14-/m1/s1.
What are the key properties of 2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 404.89 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9418929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).