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

C25H17Cl5FNO2 — CID 149029524

IUPAC2,2-dichloro-N-[4-chloro-3-[2-(4-fluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1C(c2cc(Cl)cc(Cl)c2)C1(Cl)Cl)c1ccc(Cl)c(C(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C25H17Cl5FNO2/c1-32(24(34)23-22(25(23,29)30)14-9-15(26)11-16(27)10-14)18-6-7-20(28)19(12-18)21(33)8-13-2-4-17(31)5-3-13/h2-7,9-12,22-23H,8H2,1H3
InChIKeyQFEAZGRBNLWAQO-UHFFFAOYSA-N
MW559.68 g/mol
LogP7.76
Rot. Bonds6

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

2,2-dichloro-N-[4-chloro-3-[2-(4-fluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 149029524) has the molecular formula C25H17Cl5FNO2 and a molecular weight of 559.68 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-chloro-3-[2-(4-fluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[4-chloro-3-[2-(4-fluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID149029524
Molecular FormulaC25H17Cl5FNO2
Molecular Weight559.68 g/mol
Exact Mass556.97
IUPAC Name2,2-dichloro-N-[4-chloro-3-[2-(4-fluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1C(c2cc(Cl)cc(Cl)c2)C1(Cl)Cl)c1ccc(Cl)c(C(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C25H17Cl5FNO2/c1-32(24(34)23-22(25(23,29)30)14-9-15(26)11-16(27)10-14)18-6-7-20(28)19(12-18)21(33)8-13-2-4-17(31)5-3-13/h2-7,9-12,22-23H,8H2,1H3
InChIKeyQFEAZGRBNLWAQO-UHFFFAOYSA-N
XLogP7.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.68
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 146783199
2,2-dichloro-3-(3,5-dichlorophenyl)-N-[2-[2-(4-fluorophenyl)acetyl]-4-pyridinyl]cyclopropane-1-carboxamide
CID 147531999
5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide
CID 122618370
2,2-dichloro-N-[4-chloro-3-[2-[2-fluoro-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 148806850
tert-butyl N-[5-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]-2-fluorophenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 146824878
2,2-dichloro-N-[4-chloro-3-[2-[4-(triazol-1-yl)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 149429405
[4-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]phenyl] thiocyanate
CID 152911301
2,2-dichloro-N-[4-chloro-3-[2-[3-methyl-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 148868341
N-[3-[2-(4-acetamidophenyl)acetyl]-4,5-dichlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 147965755
2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-cyanophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide
CID 122619409

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[4-chloro-3-[2-(4-fluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[4-chloro-3-[2-(4-fluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)-N-methylcyclopropane-1-carboxamide (CID 149029524) is 2,2-dichloro-N-[4-chloro-3-[2-(4-fluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[4-chloro-3-[2-(4-fluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[4-chloro-3-[2-(4-fluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)-N-methylcyclopropane-1-carboxamide is CN(C(=O)C1C(c2cc(Cl)cc(Cl)c2)C1(Cl)Cl)c1ccc(Cl)c(C(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of 2,2-dichloro-N-[4-chloro-3-[2-(4-fluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is QFEAZGRBNLWAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl5FNO2/c1-32(24(34)23-22(25(23,29)30)14-9-15(26)11-16(27)10-14)18-6-7-20(28)19(12-18)21(33)8-13-2-4-17(31)5-3-13/h2-7,9-12,22-23H,8H2,1H3.
What are the key properties of 2,2-dichloro-N-[4-chloro-3-[2-(4-fluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)-N-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[4-chloro-3-[2-(4-fluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 559.68 g/mol, XLogP of 7.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[4-chloro-3-[2-(4-fluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 149029524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).