2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide

C23H15Cl5N2O3 — CID 122621267

IUPAC2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide
SMILESO=C(NOc1ccccc1)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C23H15Cl5N2O3/c24-13-8-12(9-14(25)10-13)19-20(23(19,27)28)22(32)29-15-6-7-18(26)17(11-15)21(31)30-33-16-4-2-1-3-5-16/h1-11,19-20H,(H,29,32)(H,30,31)/t19-,20+/m0/s1
InChIKeyVTSTXCBFJFDWOW-VQTJNVASSA-N
MW544.65 g/mol
LogP6.90
Rot. Bonds6

About 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide (PubChem CID 122621267) has the molecular formula C23H15Cl5N2O3 and a molecular weight of 544.65 g/mol. Its IUPAC name is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide.

Molecular Properties

Compound Name2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide
PubChem CID122621267
Molecular FormulaC23H15Cl5N2O3
Molecular Weight544.65 g/mol
Exact Mass541.95
IUPAC Name2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide
SMILESO=C(NOc1ccccc1)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C23H15Cl5N2O3/c24-13-8-12(9-14(25)10-13)19-20(23(19,27)28)22(32)29-15-6-7-18(26)17(11-15)21(31)30-33-16-4-2-1-3-5-16/h1-11,19-20H,(H,29,32)(H,30,31)/t19-,20+/m0/s1
InChIKeyVTSTXCBFJFDWOW-VQTJNVASSA-N
XLogP6.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-[4-chloro-3-[(phenylcarbamoylamino)carbamoyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 134418882
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
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 122618471
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide
CID 122619381
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(dimethylamino)phenyl]benzamide
CID 122617818
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-N-(2-cyanophenyl)-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122617577
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(1-methylcyclopropyl)benzamide
CID 122615254
2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 146269472
2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide
CID 122630258
2,2-dichloro-N-[4-chloro-3-[(pyridin-2-ylamino)carbamoyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 134418395

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide?
The IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide (CID 122621267) is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide.
What is the SMILES notation for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide?
The canonical SMILES for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide is O=C(NOc1ccccc1)c1cc(NC(=O)[C@H]2[C@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide?
The InChIKey is VTSTXCBFJFDWOW-VQTJNVASSA-N. The full InChI is InChI=1S/C23H15Cl5N2O3/c24-13-8-12(9-14(25)10-13)19-20(23(19,27)28)22(32)29-15-6-7-18(26)17(11-15)21(31)30-33-16-4-2-1-3-5-16/h1-11,19-20H,(H,29,32)(H,30,31)/t19-,20+/m0/s1.
What are the key properties of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide?
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide has a molecular weight of 544.65 g/mol, XLogP of 6.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide is sourced from PubChem (CID 122621267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).