2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide

C24H24Cl4N2O3 — CID 138653684

IUPAC2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide
SMILESCCCC(NC(=O)c1cc(NC(=O)C2C(c3cc(C)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)C(C)=O
InChIInChI=1S/C24H24Cl4N2O3/c1-4-5-19(13(3)31)30-22(32)17-11-16(6-7-18(17)26)29-23(33)21-20(24(21,27)28)14-8-12(2)9-15(25)10-14/h6-11,19-21H,4-5H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyKGUOYGCDNZOEIN-UHFFFAOYSA-N
MW530.28 g/mol
LogP6.32
Rot. Bonds8

About 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide

2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide (PubChem CID 138653684) has the molecular formula C24H24Cl4N2O3 and a molecular weight of 530.28 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide
PubChem CID138653684
Molecular FormulaC24H24Cl4N2O3
Molecular Weight530.28 g/mol
Exact Mass528.05
IUPAC Name2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide
SMILESCCCC(NC(=O)c1cc(NC(=O)C2C(c3cc(C)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)C(C)=O
InChIInChI=1S/C24H24Cl4N2O3/c1-4-5-19(13(3)31)30-22(32)17-11-16(6-7-18(17)26)29-23(33)21-20(24(21,27)28)14-8-12(2)9-15(25)10-14/h6-11,19-21H,4-5H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyKGUOYGCDNZOEIN-UHFFFAOYSA-N
XLogP6.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.28
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017
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-(5-methyl-2-pyridinyl)benzamide
CID 122630358
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylpropyl)benzamide
CID 122621475
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-hexylbenzamide
CID 122621563
trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[(propan-2-ylcarbamoylamino)carbamoyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 140860155
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
N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 134418636
N-(6-acetamido-2-pyridinyl)-2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618295
2-chloro-N-(2-cyano-5-methylphenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618916
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(2R)-1-(2,2,2-trifluoroethylsulfinyl)propan-2-yl]benzamide
CID 122621057

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide?
The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide (CID 138653684) is 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide.
What is the SMILES notation for 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide?
The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide is CCCC(NC(=O)c1cc(NC(=O)C2C(c3cc(C)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)C(C)=O.
What is the InChIKey of 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide?
The InChIKey is KGUOYGCDNZOEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl4N2O3/c1-4-5-19(13(3)31)30-22(32)17-11-16(6-7-18(17)26)29-23(33)21-20(24(21,27)28)14-8-12(2)9-15(25)10-14/h6-11,19-21H,4-5H2,1-3H3,(H,29,33)(H,30,32).
What are the key properties of 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide?
2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide has a molecular weight of 530.28 g/mol, XLogP of 6.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide is sourced from PubChem (CID 138653684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).