2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide

C19H19Cl2FN2O2 — CID 55388510

IUPAC2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2FN2O2/c1-3-8-24(11-18(25)23-17-7-5-4-6-12(17)2)19(26)13-9-16(22)15(21)10-14(13)20/h4-7,9-10H,3,8,11H2,1-2H3,(H,23,25)
InChIKeyJZSDCSRKUYXIFM-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.93
Rot. Bonds6

About 2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide

2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 55388510) has the molecular formula C19H19Cl2FN2O2 and a molecular weight of 397.28 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
PubChem CID55388510
Molecular FormulaC19H19Cl2FN2O2
Molecular Weight397.28 g/mol
Exact Mass396.08
IUPAC Name2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2FN2O2/c1-3-8-24(11-18(25)23-17-7-5-4-6-12(17)2)19(26)13-9-16(22)15(21)10-14(13)20/h4-7,9-10H,3,8,11H2,1-2H3,(H,23,25)
InChIKeyJZSDCSRKUYXIFM-UHFFFAOYSA-N
XLogP4.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 38660284
7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide
CID 31978902
5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 112790012
2-[(2-chloro-4,5-difluorobenzoyl)-propylamino]acetic acid
CID 61007189
2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide
CID 38692816
7-chloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 31975764
6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43066610
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2,4-dimethyl-N-propylbenzamide
CID 52892887
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide
CID 31974383

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide (CID 55388510) is 2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is JZSDCSRKUYXIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O2/c1-3-8-24(11-18(25)23-17-7-5-4-6-12(17)2)19(26)13-9-16(22)15(21)10-14(13)20/h4-7,9-10H,3,8,11H2,1-2H3,(H,23,25).
What are the key properties of 2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide?
2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 397.28 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 55388510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).