2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide

C19H18Cl3FN2O2 — CID 86899014

IUPAC2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide
SMILESCCCC(NC(=O)CNC(=O)c1c(F)cccc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl3FN2O2/c1-2-4-16(11-7-8-12(20)14(22)9-11)25-17(26)10-24-19(27)18-13(21)5-3-6-15(18)23/h3,5-9,16H,2,4,10H2,1H3,(H,24,27)(H,25,26)
InChIKeyHJOCCLGLOJHLGP-UHFFFAOYSA-N
MW431.72 g/mol
LogP5.17
Rot. Bonds7

About 2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide

2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide (PubChem CID 86899014) has the molecular formula C19H18Cl3FN2O2 and a molecular weight of 431.72 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide
PubChem CID86899014
Molecular FormulaC19H18Cl3FN2O2
Molecular Weight431.72 g/mol
Exact Mass430.04
IUPAC Name2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide
SMILESCCCC(NC(=O)CNC(=O)c1c(F)cccc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl3FN2O2/c1-2-4-16(11-7-8-12(20)14(22)9-11)25-17(26)10-24-19(27)18-13(21)5-3-6-15(18)23/h3,5-9,16H,2,4,10H2,1H3,(H,24,27)(H,25,26)
InChIKeyHJOCCLGLOJHLGP-UHFFFAOYSA-N
XLogP5.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.72
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 112999678
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 56822052
4-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538290
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide
CID 119527099
2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 112996056
2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide
CID 112997013
N-[2-(3-acetylanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 112999524
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992254

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide (CID 86899014) is 2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide is CCCC(NC(=O)CNC(=O)c1c(F)cccc1Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide?
The InChIKey is HJOCCLGLOJHLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3FN2O2/c1-2-4-16(11-7-8-12(20)14(22)9-11)25-17(26)10-24-19(27)18-13(21)5-3-6-15(18)23/h3,5-9,16H,2,4,10H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide?
2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide has a molecular weight of 431.72 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide is sourced from PubChem (CID 86899014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).