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

C26H21Cl5N2O2 — CID 148868341

IUPAC2,2-dichloro-N-[4-chloro-3-[2-[3-methyl-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESCNc1ccc(CC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)cc1C
InChIInChI=1S/C26H21Cl5N2O2/c1-13-7-14(3-6-21(13)32-2)8-22(34)19-12-18(4-5-20(19)29)33-25(35)24-23(26(24,30)31)15-9-16(27)11-17(28)10-15/h3-7,9-12,23-24,32H,8H2,1-2H3,(H,33,35)
InChIKeyPAQYESRCGKZZAV-UHFFFAOYSA-N
MW570.73 g/mol
LogP7.95
Rot. Bonds7

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

2,2-dichloro-N-[4-chloro-3-[2-[3-methyl-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 148868341) has the molecular formula C26H21Cl5N2O2 and a molecular weight of 570.73 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-chloro-3-[2-[3-methyl-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[4-chloro-3-[2-[3-methyl-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID148868341
Molecular FormulaC26H21Cl5N2O2
Molecular Weight570.73 g/mol
Exact Mass568.00
IUPAC Name2,2-dichloro-N-[4-chloro-3-[2-[3-methyl-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESCNc1ccc(CC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)cc1C
InChIInChI=1S/C26H21Cl5N2O2/c1-13-7-14(3-6-21(13)32-2)8-22(34)19-12-18(4-5-20(19)29)33-25(35)24-23(26(24,30)31)15-9-16(27)11-17(28)10-15/h3-7,9-12,23-24,32H,8H2,1-2H3,(H,33,35)
InChIKeyPAQYESRCGKZZAV-UHFFFAOYSA-N
XLogP7.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.73
LogP ≤ 57.95
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

[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-fluoro-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 148806850
[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-[3,4-difluoro-5-(1-fluoroethenyl)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 147576133
N-[3-[2-(4-acetamidophenyl)acetyl]-4,5-dichlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 147965755
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-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 148562302
2,2-dichloro-N-[4-chloro-3-[2-[4-(triazol-1-yl)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 149429405
N-(4-amino-2,5-dimethylphenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 140859901
2,2-dichloro-3-(3,5-dichlorophenyl)-N-[3-[2-(4-fluorophenyl)acetyl]-4-formylphenyl]cyclopropane-1-carboxamide
CID 160756230
2,2-dichloro-N-[4-chloro-3-[(4-fluoro-2-methylanilino)carbamoyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 134418019
2-chloro-5-[[(3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(2-methoxyethylamino)-2-methylphenyl]benzamide
CID 134418201

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[4-chloro-3-[2-[3-methyl-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[4-chloro-3-[2-[3-methyl-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (CID 148868341) is 2,2-dichloro-N-[4-chloro-3-[2-[3-methyl-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[4-chloro-3-[2-[3-methyl-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[4-chloro-3-[2-[3-methyl-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is CNc1ccc(CC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)cc1C.
What is the InChIKey of 2,2-dichloro-N-[4-chloro-3-[2-[3-methyl-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is PAQYESRCGKZZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl5N2O2/c1-13-7-14(3-6-21(13)32-2)8-22(34)19-12-18(4-5-20(19)29)33-25(35)24-23(26(24,30)31)15-9-16(27)11-17(28)10-15/h3-7,9-12,23-24,32H,8H2,1-2H3,(H,33,35).
What are the key properties of 2,2-dichloro-N-[4-chloro-3-[2-[3-methyl-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-[4-chloro-3-[2-[3-methyl-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 570.73 g/mol, XLogP of 7.95, 7 rotatable bonds, 2 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-[3-methyl-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 148868341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).