2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide

C21H20Cl3FN2O2 — CID 122632735

IUPAC2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)C2C(c3ccc(F)c(C)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C21H20Cl3FN2O2/c1-3-8-26-19(28)14-10-13(5-6-15(14)22)27-20(29)18-17(21(18,23)24)12-4-7-16(25)11(2)9-12/h4-7,9-10,17-18H,3,8H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyOJBWOTMHLAKXSC-UHFFFAOYSA-N
MW457.76 g/mol
LogP5.45
Rot. Bonds6

About 2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide

2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide (PubChem CID 122632735) has the molecular formula C21H20Cl3FN2O2 and a molecular weight of 457.76 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide
PubChem CID122632735
Molecular FormulaC21H20Cl3FN2O2
Molecular Weight457.76 g/mol
Exact Mass456.06
IUPAC Name2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)C2C(c3ccc(F)c(C)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C21H20Cl3FN2O2/c1-3-8-26-19(28)14-10-13(5-6-15(14)22)27-20(29)18-17(21(18,23)24)12-4-7-16(25)11(2)9-12/h4-7,9-10,17-18H,3,8H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyOJBWOTMHLAKXSC-UHFFFAOYSA-N
XLogP5.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.76
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 122632736
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(3,3,3-trifluoropropyl)benzamide
CID 122621222
2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(3,3,3-trifluoropropyl)benzamide
CID 122621220
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-pentylbenzamide
CID 122622266
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-hexylbenzamide
CID 122621563
2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide
CID 175133019
N-(4-acetamidophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618862
2,3-dichloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide
CID 122621226
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide
CID 122622141
N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 134418636
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122618686
2-chloro-5-[[2,2-dichloro-3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 122621042

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide?
The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide (CID 122632735) is 2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide is CCCNC(=O)c1cc(NC(=O)C2C(c3ccc(F)c(C)c3)C2(Cl)Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide?
The InChIKey is OJBWOTMHLAKXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl3FN2O2/c1-3-8-26-19(28)14-10-13(5-6-15(14)22)27-20(29)18-17(21(18,23)24)12-4-7-16(25)11(2)9-12/h4-7,9-10,17-18H,3,8H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide?
2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide has a molecular weight of 457.76 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide is sourced from PubChem (CID 122632735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).