N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide

C22H24Cl2FN3O3 — CID 60572761

IUPACN-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H24Cl2FN3O3/c1-2-12-28(14-20(29)27-19-10-7-16(23)13-18(19)24)21(30)4-3-11-26-22(31)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12,14H2,1H3,(H,26,31)(H,27,29)
InChIKeySOIORLZHAXNOAC-UHFFFAOYSA-N
MW468.36 g/mol
LogP4.52
Rot. Bonds10

About N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide

N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide (PubChem CID 60572761) has the molecular formula C22H24Cl2FN3O3 and a molecular weight of 468.36 g/mol. Its IUPAC name is N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide
PubChem CID60572761
Molecular FormulaC22H24Cl2FN3O3
Molecular Weight468.36 g/mol
Exact Mass467.12
IUPAC NameN-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H24Cl2FN3O3/c1-2-12-28(14-20(29)27-19-10-7-16(23)13-18(19)24)21(30)4-3-11-26-22(31)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12,14H2,1H3,(H,26,31)(H,27,29)
InChIKeySOIORLZHAXNOAC-UHFFFAOYSA-N
XLogP4.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 54.52
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

4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide
CID 26364301
4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043816
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide
CID 38692816
4-chloro-N-[4-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-4-oxobutyl]benzamide
CID 24981133
N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide
CID 56538621
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2,4-dimethyl-N-propylbenzamide
CID 52892887
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
2-(cyclopropylmethylamino)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylacetamide
CID 119683191
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913
4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid
CID 119134576

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide (CID 60572761) is N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide?
The InChIKey is SOIORLZHAXNOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2FN3O3/c1-2-12-28(14-20(29)27-19-10-7-16(23)13-18(19)24)21(30)4-3-11-26-22(31)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12,14H2,1H3,(H,26,31)(H,27,29).
What are the key properties of N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide?
N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide has a molecular weight of 468.36 g/mol, XLogP of 4.52, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide is sourced from PubChem (CID 60572761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).