4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide

C17H16Cl2N2O3 — CID 7931207

IUPAC4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
SMILESC[C@H](NC(=O)COc1ccc(C(N)=O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-10(12-4-7-14(18)15(19)8-12)21-16(22)9-24-13-5-2-11(3-6-13)17(20)23/h2-8,10H,9H2,1H3,(H2,20,23)(H,21,22)/t10-/m0/s1
InChIKeyCEOYPSGVUUUVBN-JTQLQIEISA-N
MW367.23 g/mol
LogP3.35
Rot. Bonds6

About 4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide

4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide (PubChem CID 7931207) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
PubChem CID7931207
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
SMILESC[C@H](NC(=O)COc1ccc(C(N)=O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-10(12-4-7-14(18)15(19)8-12)21-16(22)9-24-13-5-2-11(3-6-13)17(20)23/h2-8,10H,9H2,1H3,(H2,20,23)(H,21,22)/t10-/m0/s1
InChIKeyCEOYPSGVUUUVBN-JTQLQIEISA-N
XLogP3.35
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 51139810
[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791260
2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79473884
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 8532627
(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 119943040
N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 42900895
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43916161
ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7471705
2-(4-benzoylphenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7948812
N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide
CID 7762560
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 31395963
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7788222

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide (CID 7931207) is 4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide is C[C@H](NC(=O)COc1ccc(C(N)=O)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide?
The InChIKey is CEOYPSGVUUUVBN-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-10(12-4-7-14(18)15(19)8-12)21-16(22)9-24-13-5-2-11(3-6-13)17(20)23/h2-8,10H,9H2,1H3,(H2,20,23)(H,21,22)/t10-/m0/s1.
What are the key properties of 4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide?
4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide has a molecular weight of 367.23 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 7931207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).