N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide

C24H24Cl5N3O3 — CID 134418636

IUPACN-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
SMILESCC(=O)NCCCCCNC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C24H24Cl5N3O3/c1-13(33)30-7-3-2-4-8-31-22(34)18-12-17(5-6-19(18)27)32-23(35)21-20(24(21,28)29)14-9-15(25)11-16(26)10-14/h5-6,9-12,20-21H,2-4,7-8H2,1H3,(H,30,33)(H,31,34)(H,32,35)
InChIKeyAWKDRQGRHKHXLS-UHFFFAOYSA-N
MW579.74 g/mol
LogP6.21
Rot. Bonds10

About N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide

N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide (PubChem CID 134418636) has the molecular formula C24H24Cl5N3O3 and a molecular weight of 579.74 g/mol. Its IUPAC name is N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
PubChem CID134418636
Molecular FormulaC24H24Cl5N3O3
Molecular Weight579.74 g/mol
Exact Mass577.03
IUPAC NameN-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
SMILESCC(=O)NCCCCCNC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C24H24Cl5N3O3/c1-13(33)30-7-3-2-4-8-31-22(34)18-12-17(5-6-19(18)27)32-23(35)21-20(24(21,28)29)14-9-15(25)11-16(26)10-14/h5-6,9-12,20-21H,2-4,7-8H2,1H3,(H,30,33)(H,31,34)(H,32,35)
InChIKeyAWKDRQGRHKHXLS-UHFFFAOYSA-N
XLogP6.21
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.74
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-hexylbenzamide
CID 122621563
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-pentylbenzamide
CID 122622266
N-[3-(6-acetamidohexanoyl)-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 157325214
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 122622248
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide
CID 122622141
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylpropyl)benzamide
CID 122621475
2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017
2-chloro-N-(4-chloro-3-hydroxyphenyl)-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 146269473
trans-(1R,3R)-N-[3-[[acetyl(methyl)amino]carbamoyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 140860175
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide
CID 134418577
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 122621463
N-(6-acetamido-2-pyridinyl)-2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618295

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide (CID 134418636) is N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide is CC(=O)NCCCCCNC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.
What is the InChIKey of N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?
The InChIKey is AWKDRQGRHKHXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl5N3O3/c1-13(33)30-7-3-2-4-8-31-22(34)18-12-17(5-6-19(18)27)32-23(35)21-20(24(21,28)29)14-9-15(25)11-16(26)10-14/h5-6,9-12,20-21H,2-4,7-8H2,1H3,(H,30,33)(H,31,34)(H,32,35).
What are the key properties of N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?
N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide has a molecular weight of 579.74 g/mol, XLogP of 6.21, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 134418636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).