(3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide

C17H11Cl6NO — CID 138653681

IUPAC(3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2[C@H](c3cc(Cl)c(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C17H11Cl6NO/c1-7-4-9(2-3-10(7)18)24-16(25)14-13(17(14,22)23)8-5-11(19)15(21)12(20)6-8/h2-6,13-14H,1H3,(H,24,25)/t13-,14?/m0/s1
InChIKeyXMFOTNAQHJUYGE-LSLKUGRBSA-N
MW458.00 g/mol
LogP7.13
Rot. Bonds3

About (3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide

(3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 138653681) has the molecular formula C17H11Cl6NO and a molecular weight of 458.00 g/mol. Its IUPAC name is (3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide
PubChem CID138653681
Molecular FormulaC17H11Cl6NO
Molecular Weight458.00 g/mol
Exact Mass454.90
IUPAC Name(3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2[C@H](c3cc(Cl)c(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C17H11Cl6NO/c1-7-4-9(2-3-10(7)18)24-16(25)14-13(17(14,22)23)8-5-11(19)15(21)12(20)6-8/h2-6,13-14H,1H3,(H,24,25)/t13-,14?/m0/s1
InChIKeyXMFOTNAQHJUYGE-LSLKUGRBSA-N
XLogP7.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.00
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(4-acetamido-2-methylphenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide
CID 160678086
N-(4-amino-2-methylphenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122617892
2,2-dibromo-N-(4-chloro-3-methylphenyl)-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 138653070
[4-[[3-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]benzoyl]amino]-3-methylphenyl]carbamic acid
CID 122617921
2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,2-difluorocyclopropyl)benzamide
CID 122632814
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
CID 122615414
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide
CID 122618448
2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-methylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122617547
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichloro-4-methylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122617550
N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 138653301
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122617858
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(thiolan-3-yl)benzamide
CID 122615387

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of (3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide (CID 138653681) is (3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for (3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide is Cc1cc(NC(=O)C2[C@H](c3cc(Cl)c(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl.
What is the InChIKey of (3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is XMFOTNAQHJUYGE-LSLKUGRBSA-N. The full InChI is InChI=1S/C17H11Cl6NO/c1-7-4-9(2-3-10(7)18)24-16(25)14-13(17(14,22)23)8-5-11(19)15(21)12(20)6-8/h2-6,13-14H,1H3,(H,24,25)/t13-,14?/m0/s1.
What are the key properties of (3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide?
(3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 458.00 g/mol, XLogP of 7.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 138653681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).