N-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide

C19H19ClN2O3 — CID 4827116

IUPACN-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide
SMILESCC(=O)c1ccccc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c1-13(23)16-5-2-3-6-17(16)22-18(24)7-4-12-21-19(25)14-8-10-15(20)11-9-14/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyFOXRAFCTJIBTCD-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.69
Rot. Bonds7

About N-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide

N-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide (PubChem CID 4827116) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide
PubChem CID4827116
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide
SMILESCC(=O)c1ccccc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c1-13(23)16-5-2-3-6-17(16)22-18(24)7-4-12-21-19(25)14-8-10-15(20)11-9-14/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyFOXRAFCTJIBTCD-UHFFFAOYSA-N
XLogP3.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Chloro-4-hydroxyquinoline
CID 66593
1-(4-Chlorobenzyl)-1H-indole-2,3-dione
CID 277990
Loviride
CID 3963
2-(Methylamino)-5-chlorobenzophenone
CID 13925
2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
N-(4'-chloro-(1,1'-biphenyl)-2-yl)-2-hydroxypyridine-3-carboxamide
CID 132933455
Alpha-(2,6-dichlorophenyl)-alpha-(2-acetyl-5-methylanilino)acetamide
CID 449080
N-(4-Chlorophenyl)-3-oxo-3-phenylpropanamide
CID 570768
Avizafone
CID 71968
Acetamide, 2-(acetylamino)-N-(2-benzoyl-4-chlorophenyl)-
CID 200017
Lorzafone
CID 54760
1-(4-Chlorophenyl)-3-(3,4-dimethylanilino)-1-propanone
CID 888422

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide?
The IUPAC name of N-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide (CID 4827116) is N-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide?
The canonical SMILES for N-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide is CC(=O)c1ccccc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide?
The InChIKey is FOXRAFCTJIBTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-13(23)16-5-2-3-6-17(16)22-18(24)7-4-12-21-19(25)14-8-10-15(20)11-9-14/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide?
N-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide has a molecular weight of 358.83 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide is sourced from PubChem (CID 4827116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).