N-[1-(4-chlorophenyl)-2-(3-ethoxypropylamino)-2-oxoethyl]-2-hydroxybenzamide

C20H23ClN2O4 — CID 3371077

IUPACN-[1-(4-chlorophenyl)-2-(3-ethoxypropylamino)-2-oxoethyl]-2-hydroxybenzamide
SMILESCCOCCCNC(=O)C(NC(=O)c1ccccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O4/c1-2-27-13-5-12-22-20(26)18(14-8-10-15(21)11-9-14)23-19(25)16-6-3-4-7-17(16)24/h3-4,6-11,18,24H,2,5,12-13H2,1H3,(H,22,26)(H,23,25)
InChIKeySQJXUSXKAHLLGN-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.06
Rot. Bonds9

About N-[1-(4-chlorophenyl)-2-(3-ethoxypropylamino)-2-oxoethyl]-2-hydroxybenzamide

N-[1-(4-chlorophenyl)-2-(3-ethoxypropylamino)-2-oxoethyl]-2-hydroxybenzamide (PubChem CID 3371077) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-(3-ethoxypropylamino)-2-oxoethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-(3-ethoxypropylamino)-2-oxoethyl]-2-hydroxybenzamide
PubChem CID3371077
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-[1-(4-chlorophenyl)-2-(3-ethoxypropylamino)-2-oxoethyl]-2-hydroxybenzamide
SMILESCCOCCCNC(=O)C(NC(=O)c1ccccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O4/c1-2-27-13-5-12-22-20(26)18(14-8-10-15(21)11-9-14)23-19(25)16-6-3-4-7-17(16)24/h3-4,6-11,18,24H,2,5,12-13H2,1H3,(H,22,26)(H,23,25)
InChIKeySQJXUSXKAHLLGN-UHFFFAOYSA-N
XLogP3.06
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 68466
CID 68466
CID 95934
CID 95934
CID 596209
CID 596209
CID 29778035
CID 29778035
CID 118246812
CID 118246812
CID 164524624
CID 164524624
CID 3076082
CID 3076082
CID 2961465
CID 2961465
CID 4314757
CID 4314757
CID 4654636
CID 4654636
CID 5235390
CID 5235390
CID 18231388
CID 18231388

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-(3-ethoxypropylamino)-2-oxoethyl]-2-hydroxybenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-(3-ethoxypropylamino)-2-oxoethyl]-2-hydroxybenzamide (CID 3371077) is N-[1-(4-chlorophenyl)-2-(3-ethoxypropylamino)-2-oxoethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-(3-ethoxypropylamino)-2-oxoethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-(3-ethoxypropylamino)-2-oxoethyl]-2-hydroxybenzamide is CCOCCCNC(=O)C(NC(=O)c1ccccc1O)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-(3-ethoxypropylamino)-2-oxoethyl]-2-hydroxybenzamide?
The InChIKey is SQJXUSXKAHLLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-2-27-13-5-12-22-20(26)18(14-8-10-15(21)11-9-14)23-19(25)16-6-3-4-7-17(16)24/h3-4,6-11,18,24H,2,5,12-13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[1-(4-chlorophenyl)-2-(3-ethoxypropylamino)-2-oxoethyl]-2-hydroxybenzamide?
N-[1-(4-chlorophenyl)-2-(3-ethoxypropylamino)-2-oxoethyl]-2-hydroxybenzamide has a molecular weight of 390.87 g/mol, XLogP of 3.06, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-(3-ethoxypropylamino)-2-oxoethyl]-2-hydroxybenzamide is sourced from PubChem (CID 3371077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).