2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide

C26H16Cl5N3O2 — CID 122619097

IUPAC2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide
SMILESO=C(Nc1ccc2cccnc2c1)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C26H16Cl5N3O2/c27-15-8-14(9-16(28)10-15)22-23(26(22,30)31)25(36)34-17-5-6-20(29)19(11-17)24(35)33-18-4-3-13-2-1-7-32-21(13)12-18/h1-12,22-23H,(H,33,35)(H,34,36)
InChIKeyHOVJNBBEDSVAJY-UHFFFAOYSA-N
MW579.70 g/mol
LogP7.97
Rot. Bonds5

About 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide

2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide (PubChem CID 122619097) has the molecular formula C26H16Cl5N3O2 and a molecular weight of 579.70 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide
PubChem CID122619097
Molecular FormulaC26H16Cl5N3O2
Molecular Weight579.70 g/mol
Exact Mass576.97
IUPAC Name2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide
SMILESO=C(Nc1ccc2cccnc2c1)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C26H16Cl5N3O2/c27-15-8-14(9-16(28)10-15)22-23(26(22,30)31)25(36)34-17-5-6-20(29)19(11-17)24(35)33-18-4-3-13-2-1-7-32-21(13)12-18/h1-12,22-23H,(H,33,35)(H,34,36)
InChIKeyHOVJNBBEDSVAJY-UHFFFAOYSA-N
XLogP7.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.70
LogP ≤ 57.97
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
trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[[(3-chloro-2-pyridinyl)amino]carbamoyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 140860174
2-chloro-N-(4-chloro-3-hydroxyphenyl)-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 146269473
2-chloro-N-(2-chloro-3H-benzimidazol-5-yl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619215
2,2-dichloro-N-[4-chloro-3-[(pyridin-2-ylamino)carbamoyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 134418395
N-(6-acetamido-2-pyridinyl)-2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618295
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 122617475
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-(5-fluoropyrimidin-2-yl)benzamide
CID 122619229
2-chloro-N-(6-cyano-3-pyridinyl)-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618723
N-(5-bromo-6-fluoro-3-pyridinyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618175
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzamide
CID 122619417

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide?
The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide (CID 122619097) is 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide.
What is the SMILES notation for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide?
The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide is O=C(Nc1ccc2cccnc2c1)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide?
The InChIKey is HOVJNBBEDSVAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl5N3O2/c27-15-8-14(9-16(28)10-15)22-23(26(22,30)31)25(36)34-17-5-6-20(29)19(11-17)24(35)33-18-4-3-13-2-1-7-32-21(13)12-18/h1-12,22-23H,(H,33,35)(H,34,36).
What are the key properties of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide?
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide has a molecular weight of 579.70 g/mol, XLogP of 7.97, 5 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-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide is sourced from PubChem (CID 122619097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).