2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide

C20H15Cl4F2N3O3 — CID 166988628

IUPAC2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
SMILESCC(Cl)C(=O)Nc1c(F)ccc(NC(=O)c2cc(NC(=O)C3CC3(Cl)Cl)ccc2Cl)c1F
InChIInChI=1S/C20H15Cl4F2N3O3/c1-8(21)17(30)29-16-13(25)4-5-14(15(16)26)28-18(31)10-6-9(2-3-12(10)22)27-19(32)11-7-20(11,23)24/h2-6,8,11H,7H2,1H3,(H,27,32)(H,28,31)(H,29,30)
InChIKeyVDGSEPJSLJPMAO-UHFFFAOYSA-N
MW525.17 g/mol
LogP5.57
Rot. Bonds6

About 2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide

2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide (PubChem CID 166988628) has the molecular formula C20H15Cl4F2N3O3 and a molecular weight of 525.17 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
PubChem CID166988628
Molecular FormulaC20H15Cl4F2N3O3
Molecular Weight525.17 g/mol
Exact Mass522.98
IUPAC Name2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
SMILESCC(Cl)C(=O)Nc1c(F)ccc(NC(=O)c2cc(NC(=O)C3CC3(Cl)Cl)ccc2Cl)c1F
InChIInChI=1S/C20H15Cl4F2N3O3/c1-8(21)17(30)29-16-13(25)4-5-14(15(16)26)28-18(31)10-6-9(2-3-12(10)22)27-19(32)11-7-20(11,23)24/h2-6,8,11H,7H2,1H3,(H,27,32)(H,28,31)(H,29,30)
InChIKeyVDGSEPJSLJPMAO-UHFFFAOYSA-N
XLogP5.57
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.17
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-3-[(4,4,4-trifluoro-2-methylbutanoyl)amino]phenyl]benzamide
CID 138703133
N-[3-[(2-bromo-4,4,4-trifluorobutanoyl)amino]-2,4-difluorophenyl]-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 138703166
N-[3-[(2-bromo-2,2-difluoroacetyl)amino]-2,4-difluorophenyl]-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 134418265
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide
CID 166988687
2-chloro-5-[(2,2-dichloro-3-methylcyclopropanecarbonyl)amino]-N-[3-[2-(difluoromethoxy)propanoylamino]-2,4-difluorophenyl]benzamide
CID 166988797
N-(3-acetamido-2,4-difluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-3-fluorobenzamide
CID 134418951
N-(5-acetamido-2,3,4-trifluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 134417873
2-chloro-5-[[2,2-dichloro-3-(4-fluorophenyl)cyclopropanecarbonyl]amino]-N-[3-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide
CID 134417776
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[2-(trifluoromethylsulfanyl)propanoylamino]phenyl]benzamide
CID 155757492
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide
CID 134418777
2-chloro-N-[3-[(2-cyanoacetyl)-methylamino]-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166988637
5-[[(1R,3R)-3-(4-bromophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-[3-[(2,2-difluoroacetyl)amino]-2,4-difluorophenyl]benzamide
CID 140859682

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide?
The IUPAC name of 2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide (CID 166988628) is 2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for 2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide is CC(Cl)C(=O)Nc1c(F)ccc(NC(=O)c2cc(NC(=O)C3CC3(Cl)Cl)ccc2Cl)c1F.
What is the InChIKey of 2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide?
The InChIKey is VDGSEPJSLJPMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl4F2N3O3/c1-8(21)17(30)29-16-13(25)4-5-14(15(16)26)28-18(31)10-6-9(2-3-12(10)22)27-19(32)11-7-20(11,23)24/h2-6,8,11H,7H2,1H3,(H,27,32)(H,28,31)(H,29,30).
What are the key properties of 2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide?
2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide has a molecular weight of 525.17 g/mol, XLogP of 5.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 166988628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).