4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide

C17H15Cl2FN2O2 — CID 26364301

IUPAC4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H15Cl2FN2O2/c18-12-5-3-11(4-6-12)17(24)21-9-1-2-16(23)22-15-8-7-13(20)10-14(15)19/h3-8,10H,1-2,9H2,(H,21,24)(H,22,23)
InChIKeyITGOBYUGZMUKMZ-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.28
Rot. Bonds6

About 4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide

4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide (PubChem CID 26364301) has the molecular formula C17H15Cl2FN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is 4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide
PubChem CID26364301
Molecular FormulaC17H15Cl2FN2O2
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC Name4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H15Cl2FN2O2/c18-12-5-3-11(4-6-12)17(24)21-9-1-2-16(23)22-15-8-7-13(20)10-14(15)19/h3-8,10H,1-2,9H2,(H,21,24)(H,22,23)
InChIKeyITGOBYUGZMUKMZ-UHFFFAOYSA-N
XLogP4.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 9439469
N-[4-(2,5-difluoroanilino)-4-oxobutyl]benzamide
CID 39753880
N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide
CID 60572761
N-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide
CID 60572410
N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 46809375
4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27256594
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
4-chloro-N-[4-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-4-oxobutyl]benzamide
CID 112805744
4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide
CID 26239604
1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043816
N-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388
4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide
CID 7961221

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide (CID 26364301) is 4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1Cl.
What is the InChIKey of 4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide?
The InChIKey is ITGOBYUGZMUKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O2/c18-12-5-3-11(4-6-12)17(24)21-9-1-2-16(23)22-15-8-7-13(20)10-14(15)19/h3-8,10H,1-2,9H2,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide?
4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide has a molecular weight of 369.22 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide is sourced from PubChem (CID 26364301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).