N-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide

C17H16Cl2N2O3 — CID 47038490

IUPACN-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C17H16Cl2N2O3/c18-13-4-1-12(15(19)10-13)9-16(23)20-7-8-21-17(24)11-2-5-14(22)6-3-11/h1-6,10,22H,7-9H2,(H,20,23)(H,21,24)
InChIKeyCFTRMQBMIPEGOY-UHFFFAOYSA-N
MW367.23 g/mol
LogP2.79
Rot. Bonds6

About N-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide

N-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide (PubChem CID 47038490) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is N-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide
PubChem CID47038490
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC NameN-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C17H16Cl2N2O3/c18-13-4-1-12(15(19)10-13)9-16(23)20-7-8-21-17(24)11-2-5-14(22)6-3-11/h1-6,10,22H,7-9H2,(H,20,23)(H,21,24)
InChIKeyCFTRMQBMIPEGOY-UHFFFAOYSA-N
XLogP2.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N'-[2-(2,4-dichlorophenyl)acetyl]benzohydrazide
CID 7971635
N-[2-[(2,4-dichlorophenyl)methylcarbamothioylamino]ethyl]-2-(4-hydroxyphenyl)acetamide
CID 2725843
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 9217667
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 55802304
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 46650943
N-[3-[2-(2,4-dichlorophenyl)ethylamino]-3-oxopropyl]-4-nitrobenzamide
CID 9246410
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 80538312
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide
CID 55736753

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide?
The IUPAC name of N-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide (CID 47038490) is N-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide?
The canonical SMILES for N-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide is O=C(Cc1ccc(Cl)cc1Cl)NCCNC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide?
The InChIKey is CFTRMQBMIPEGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c18-13-4-1-12(15(19)10-13)9-16(23)20-7-8-21-17(24)11-2-5-14(22)6-3-11/h1-6,10,22H,7-9H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide?
N-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide has a molecular weight of 367.23 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide is sourced from PubChem (CID 47038490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).