trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide

C19H19Cl2NO — CID 7033280

IUPACtrans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)c(C)c1
InChIInChI=1S/C19H19Cl2NO/c1-11-9-12(2)17(13(3)10-11)22-18(23)16-15(19(16,20)21)14-7-5-4-6-8-14/h4-10,15-16H,1-3H3,(H,22,23)/t15-,16+/m0/s1
InChIKeyGHSHIUOODZYKMW-JKSUJKDBSA-N
MW348.27 g/mol
LogP5.14
Rot. Bonds3

About trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide

trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide (PubChem CID 7033280) has the molecular formula C19H19Cl2NO and a molecular weight of 348.27 g/mol. Its IUPAC name is trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
PubChem CID7033280
Molecular FormulaC19H19Cl2NO
Molecular Weight348.27 g/mol
Exact Mass347.08
IUPAC Nametrans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)c(C)c1
InChIInChI=1S/C19H19Cl2NO/c1-11-9-12(2)17(13(3)10-11)22-18(23)16-15(19(16,20)21)14-7-5-4-6-8-14/h4-10,15-16H,1-3H3,(H,22,23)/t15-,16+/m0/s1
InChIKeyGHSHIUOODZYKMW-JKSUJKDBSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.27
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide
CID 4590614
trans-(1R,3R)-2,2-dichloro-N-(3-nitrophenyl)-3-phenylcyclopropane-1-carboxamide
CID 2267020
2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide
CID 2885035
(3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide
CID 138653681
(1R)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 7033256
(1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 7033255
1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 45013570
trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide
CID 118160761
2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
CID 2249172
(3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 26085822
2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide
CID 175133019
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide (CID 7033280) is trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide is Cc1cc(C)c(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)c(C)c1.
What is the InChIKey of trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is GHSHIUOODZYKMW-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H19Cl2NO/c1-11-9-12(2)17(13(3)10-11)22-18(23)16-15(19(16,20)21)14-7-5-4-6-8-14/h4-10,15-16H,1-3H3,(H,22,23)/t15-,16+/m0/s1.
What are the key properties of trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide?
trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 348.27 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 7033280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).