2,2-dichloro-N-[4-chloro-3-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

C25H17Cl5FNO3 — CID 146783199

IUPAC2,2-dichloro-N-[4-chloro-3-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(COCc1ccc(F)cc1)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C25H17Cl5FNO3/c26-15-7-14(8-16(27)9-15)22-23(25(22,29)30)24(34)32-18-5-6-20(28)19(10-18)21(33)12-35-11-13-1-3-17(31)4-2-13/h1-10,22-23H,11-12H2,(H,32,34)
InChIKeyRUBRDDREKYFBSV-UHFFFAOYSA-N
MW575.68 g/mol
LogP7.71
Rot. Bonds8

About 2,2-dichloro-N-[4-chloro-3-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

2,2-dichloro-N-[4-chloro-3-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 146783199) has the molecular formula C25H17Cl5FNO3 and a molecular weight of 575.68 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-chloro-3-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[4-chloro-3-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID146783199
Molecular FormulaC25H17Cl5FNO3
Molecular Weight575.68 g/mol
Exact Mass572.96
IUPAC Name2,2-dichloro-N-[4-chloro-3-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(COCc1ccc(F)cc1)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C25H17Cl5FNO3/c26-15-7-14(8-16(27)9-15)22-23(25(22,29)30)24(34)32-18-5-6-20(28)19(10-18)21(33)12-35-11-13-1-3-17(31)4-2-13/h1-10,22-23H,11-12H2,(H,32,34)
InChIKeyRUBRDDREKYFBSV-UHFFFAOYSA-N
XLogP7.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.68
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-3-(3,5-dichlorophenyl)-N-[3-[2-(4-fluorophenyl)acetyl]-4-formylphenyl]cyclopropane-1-carboxamide
CID 160756230
[4-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]phenyl]azanium chloride
CID 158483690
2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 148562302
trifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate
CID 161302764
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,5-difluorophenyl)benzamide
CID 175355875
2,2-dichloro-N-[4-chloro-3-[2-(3,5-difluoro-2-pyridinyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 147869881
[4-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]phenyl] thiocyanate
CID 152911301
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122617526
N-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 160594940
2,2-dichloro-N-[4-chloro-3-[2-[2-fluoro-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 148806850
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4,6-trifluorophenyl)benzamide
CID 122617537
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide
CID 122618951

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[4-chloro-3-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[4-chloro-3-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (CID 146783199) is 2,2-dichloro-N-[4-chloro-3-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[4-chloro-3-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[4-chloro-3-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is O=C(COCc1ccc(F)cc1)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.
What is the InChIKey of 2,2-dichloro-N-[4-chloro-3-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is RUBRDDREKYFBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl5FNO3/c26-15-7-14(8-16(27)9-15)22-23(25(22,29)30)24(34)32-18-5-6-20(28)19(10-18)21(33)12-35-11-13-1-3-17(31)4-2-13/h1-10,22-23H,11-12H2,(H,32,34).
What are the key properties of 2,2-dichloro-N-[4-chloro-3-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-[4-chloro-3-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 575.68 g/mol, XLogP of 7.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[4-chloro-3-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 146783199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).